ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

CAS: 187725-00-4

Formula: C9H8ClN3O2

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

IUPAC: ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

InChI: InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-3-5-7(10)11-4-12-8(5)13-6/h3-4H,2H2,1H3,(H,11,12,13)

Composition: C (47.91%), H (3.57%), Cl (15.71%), N (18.62%), O (14.18%)

Molar Mass: 225.63

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	225.0305042
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BMVGJDTURCUCNP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.28
Topological Polar Surface Area	67.87
Polarizability	21.37
Ring Count	2
Rotatable Bond Count	3

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