2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

CAS: 1638760-72-1

Formula: C7H3Cl2N3O2

SMILES: OC(=O)C1=CC2=C(Cl)N=C(Cl)N=C2N1

IUPAC: 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

InChI: InChI=1S/C7H3Cl2N3O2/c8-4-2-1-3(6(13)14)10-5(2)12-7(9)11-4/h1H,(H,13,14)(H,10,11,12)

Composition: C (36.24%), H (1.30%), Cl (30.56%), N (18.11%), O (13.79%)

Molar Mass: 232.02

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.9602317
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PLENHKVVLSUDKQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.26
Topological Polar Surface Area	78.87
Polarizability	19.58
Ring Count	2
Rotatable Bond Count	1

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