7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one

C14H6ClF3N2O — CID 54283940

IUPAC7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one
SMILESO=c1ccn(-c2ccc(F)cc2F)c2nc(Cl)c(F)cc12
InChIInChI=1S/C14H6ClF3N2O/c15-13-10(18)6-8-12(21)3-4-20(14(8)19-13)11-2-1-7(16)5-9(11)17/h1-6H
InChIKeyRSTVDADNFBQBME-UHFFFAOYSA-N
MW310.66 g/mol
LogP3.46
Rot. Bonds1

About 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one

7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one (PubChem CID 54283940) has the molecular formula C14H6ClF3N2O and a molecular weight of 310.66 g/mol. Its IUPAC name is 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one
PubChem CID54283940
Molecular FormulaC14H6ClF3N2O
Molecular Weight310.66 g/mol
Exact Mass310.01
IUPAC Name7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one
SMILESO=c1ccn(-c2ccc(F)cc2F)c2nc(Cl)c(F)cc12
InChIInChI=1S/C14H6ClF3N2O/c15-13-10(18)6-8-12(21)3-4-20(14(8)19-13)11-2-1-7(16)5-9(11)17/h1-6H
InChIKeyRSTVDADNFBQBME-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 53.46
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 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one?
The IUPAC name of 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one (CID 54283940) is 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one?
The canonical SMILES for 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one is O=c1ccn(-c2ccc(F)cc2F)c2nc(Cl)c(F)cc12.
What is the InChIKey of 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one?
The InChIKey is RSTVDADNFBQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF3N2O/c15-13-10(18)6-8-12(21)3-4-20(14(8)19-13)11-2-1-7(16)5-9(11)17/h1-6H.
What are the key properties of 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one?
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one has a molecular weight of 310.66 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,8-naphthyridin-4-one is sourced from PubChem (CID 54283940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).