7-chloro-5-methyl-1H-1,8-naphthyridin-2-one

C9H7ClN2O — CID 21073917

IUPAC7-chloro-5-methyl-1H-1,8-naphthyridin-2-one
SMILESCc1cc(Cl)nc2[nH]c(=O)ccc12
InChIInChI=1S/C9H7ClN2O/c1-5-4-7(10)11-9-6(5)2-3-8(13)12-9/h2-4H,1H3,(H,11,12,13)
InChIKeyRRTKZOMFASMWKA-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.88
Rot. Bonds

About 7-chloro-5-methyl-1H-1,8-naphthyridin-2-one

7-chloro-5-methyl-1H-1,8-naphthyridin-2-one (PubChem CID 21073917) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 7-chloro-5-methyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-5-methyl-1H-1,8-naphthyridin-2-one
PubChem CID21073917
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name7-chloro-5-methyl-1H-1,8-naphthyridin-2-one
SMILESCc1cc(Cl)nc2[nH]c(=O)ccc12
InChIInChI=1S/C9H7ClN2O/c1-5-4-7(10)11-9-6(5)2-3-8(13)12-9/h2-4H,1H3,(H,11,12,13)
InChIKeyRRTKZOMFASMWKA-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 7-chloro-5-methyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-5-methyl-1H-1,8-naphthyridin-2-one (CID 21073917) is 7-chloro-5-methyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-5-methyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-5-methyl-1H-1,8-naphthyridin-2-one is Cc1cc(Cl)nc2[nH]c(=O)ccc12.
What is the InChIKey of 7-chloro-5-methyl-1H-1,8-naphthyridin-2-one?
The InChIKey is RRTKZOMFASMWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5-4-7(10)11-9-6(5)2-3-8(13)12-9/h2-4H,1H3,(H,11,12,13).
What are the key properties of 7-chloro-5-methyl-1H-1,8-naphthyridin-2-one?
7-chloro-5-methyl-1H-1,8-naphthyridin-2-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 7-chloro-5-methyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).