7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

C8H6ClN3O — CID 137292826

IUPAC7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]cnc2nc1Cl
InChIInChI=1S/C8H6ClN3O/c1-4-2-5-7(12-6(4)9)10-3-11-8(5)13/h2-3H,1H3,(H,10,11,12,13)
InChIKeyABDKNJMTJXWZJN-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.28
Rot. Bonds

About 7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137292826) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137292826
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]cnc2nc1Cl
InChIInChI=1S/C8H6ClN3O/c1-4-2-5-7(12-6(4)9)10-3-11-8(5)13/h2-3H,1H3,(H,10,11,12,13)
InChIKeyABDKNJMTJXWZJN-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 172684386
6,7,8-trimethyl-3H-quinazolin-4-one
CID 137284029
5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135408240
5,6-dichloro-1H-imidazo[4,5-b]pyrazine
CID 6185514
2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 135408571
6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 160936110
6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135480525
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135783855
7-chloro-6-iodo-3H-quinazolin-4-one
CID 136641881
8-chloro-5-methyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137276596
4-chloro-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137131854

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137292826) is 7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)[nH]cnc2nc1Cl.
What is the InChIKey of 7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ABDKNJMTJXWZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-4-2-5-7(12-6(4)9)10-3-11-8(5)13/h2-3H,1H3,(H,10,11,12,13).
What are the key properties of 7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 195.61 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137292826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).