8-chloro-3-methyl-1H-1,7-naphthyridin-4-one

C9H7ClN2O — CID 129293771

IUPAC8-chloro-3-methyl-1H-1,7-naphthyridin-4-one
SMILESCc1c[nH]c2c(Cl)nccc2c1=O
InChIInChI=1S/C9H7ClN2O/c1-5-4-12-7-6(8(5)13)2-3-11-9(7)10/h2-4H,1H3,(H,12,13)
InChIKeyWBPXVCLOZCQIHT-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.88
Rot. Bonds

About 8-chloro-3-methyl-1H-1,7-naphthyridin-4-one

8-chloro-3-methyl-1H-1,7-naphthyridin-4-one (PubChem CID 129293771) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 8-chloro-3-methyl-1H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-3-methyl-1H-1,7-naphthyridin-4-one
PubChem CID129293771
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name8-chloro-3-methyl-1H-1,7-naphthyridin-4-one
SMILESCc1c[nH]c2c(Cl)nccc2c1=O
InChIInChI=1S/C9H7ClN2O/c1-5-4-12-7-6(8(5)13)2-3-11-9(7)10/h2-4H,1H3,(H,12,13)
InChIKeyWBPXVCLOZCQIHT-UHFFFAOYSA-N
XLogP1.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 8-chloro-3-methyl-1H-1,7-naphthyridin-4-one?
The IUPAC name of 8-chloro-3-methyl-1H-1,7-naphthyridin-4-one (CID 129293771) is 8-chloro-3-methyl-1H-1,7-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-3-methyl-1H-1,7-naphthyridin-4-one?
The canonical SMILES for 8-chloro-3-methyl-1H-1,7-naphthyridin-4-one is Cc1c[nH]c2c(Cl)nccc2c1=O.
What is the InChIKey of 8-chloro-3-methyl-1H-1,7-naphthyridin-4-one?
The InChIKey is WBPXVCLOZCQIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5-4-12-7-6(8(5)13)2-3-11-9(7)10/h2-4H,1H3,(H,12,13).
What are the key properties of 8-chloro-3-methyl-1H-1,7-naphthyridin-4-one?
8-chloro-3-methyl-1H-1,7-naphthyridin-4-one has a molecular weight of 194.62 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-1H-1,7-naphthyridin-4-one is sourced from PubChem (CID 129293771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).