1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde

2.1.2 InChI

InChI=1S/C12H12ClN3O/c13-12-14-6-8-5-10(7-17)16(11(8)15-12)9-3-1-2-4-9/h5-7,9H,1-4H2

2.1.3 InChI Key

SOXVKQLLJZHYTL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(C1)N2C(=CC3=CN=C(N=C32)Cl)C=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1211443-55-8

2. 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxaldehyde

3. 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde

4. Schembl1993255

5. Soxvkqlljzhytl-uhfffaoysa-n

6. Cs-b1521

7. Mfcd29041988

8. Akos027335881

9. Cs-13286

10. Sy355107

11. Db-217248

12. F50770

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₂ClN₃O
Molecular Weight	249.69 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	47.8
Heavy Atom Count	17
Formal Charge	0
Complexity	296
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde