2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C7H5ClFN3O — CID 135905394

IUPAC2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1cc(F)c2c(=O)[nH]c(Cl)nc21
InChIInChI=1S/C7H5ClFN3O/c1-12-2-3(9)4-5(12)10-7(8)11-6(4)13/h2H,1H3,(H,10,11,13)
InChIKeyNYXPNQXAJYQMQV-UHFFFAOYSA-N
MW201.59 g/mol
LogP1.05
Rot. Bonds

About 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135905394) has the molecular formula C7H5ClFN3O and a molecular weight of 201.59 g/mol. Its IUPAC name is 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135905394
Molecular FormulaC7H5ClFN3O
Molecular Weight201.59 g/mol
Exact Mass201.01
IUPAC Name2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1cc(F)c2c(=O)[nH]c(Cl)nc21
InChIInChI=1S/C7H5ClFN3O/c1-12-2-3(9)4-5(12)10-7(8)11-6(4)13/h2H,1H3,(H,10,11,13)
InChIKeyNYXPNQXAJYQMQV-UHFFFAOYSA-N
XLogP1.05
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.59
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 135398563
CID 135398563
CID 135520243
CID 135520243
CID 135433723
CID 135433723
CID 136230137
CID 136230137
CID 135403632
CID 135403632
CID 135433729
CID 135433729
CID 136094211
CID 136094211
CID 135905388
CID 135905388
CID 136219115
CID 136219115
CID 136229764
CID 136229764
CID 136599022
CID 136599022
CID 135398562
CID 135398562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135905394) is 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cn1cc(F)c2c(=O)[nH]c(Cl)nc21.
What is the InChIKey of 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is NYXPNQXAJYQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN3O/c1-12-2-3(9)4-5(12)10-7(8)11-6(4)13/h2H,1H3,(H,10,11,13).
What are the key properties of 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 201.59 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135905394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).