2-chloro-7-methyl-1,7-naphthyridin-8-one

C9H7ClN2O — CID 134828291

IUPAC2-chloro-7-methyl-1,7-naphthyridin-8-one
SMILESCn1ccc2ccc(Cl)nc2c1=O
InChIInChI=1S/C9H7ClN2O/c1-12-5-4-6-2-3-7(10)11-8(6)9(12)13/h2-5H,1H3
InChIKeyHGIATSHCOMREBU-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.59
Rot. Bonds

About 2-chloro-7-methyl-1,7-naphthyridin-8-one

2-chloro-7-methyl-1,7-naphthyridin-8-one (PubChem CID 134828291) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-chloro-7-methyl-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name2-chloro-7-methyl-1,7-naphthyridin-8-one
PubChem CID134828291
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name2-chloro-7-methyl-1,7-naphthyridin-8-one
SMILESCn1ccc2ccc(Cl)nc2c1=O
InChIInChI=1S/C9H7ClN2O/c1-12-5-4-6-2-3-7(10)11-8(6)9(12)13/h2-5H,1H3
InChIKeyHGIATSHCOMREBU-UHFFFAOYSA-N
XLogP1.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-1,7-naphthyridin-8-one?
The IUPAC name of 2-chloro-7-methyl-1,7-naphthyridin-8-one (CID 134828291) is 2-chloro-7-methyl-1,7-naphthyridin-8-one.
What is the SMILES notation for 2-chloro-7-methyl-1,7-naphthyridin-8-one?
The canonical SMILES for 2-chloro-7-methyl-1,7-naphthyridin-8-one is Cn1ccc2ccc(Cl)nc2c1=O.
What is the InChIKey of 2-chloro-7-methyl-1,7-naphthyridin-8-one?
The InChIKey is HGIATSHCOMREBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-12-5-4-6-2-3-7(10)11-8(6)9(12)13/h2-5H,1H3.
What are the key properties of 2-chloro-7-methyl-1,7-naphthyridin-8-one?
2-chloro-7-methyl-1,7-naphthyridin-8-one has a molecular weight of 194.62 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-1,7-naphthyridin-8-one is sourced from PubChem (CID 134828291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).