3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one

C14H7BrClFN2O — CID 123721507

IUPAC3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
SMILESO=c1c2c(Cl)nccc2cc(Br)n1-c1ccc(F)cc1
InChIInChI=1S/C14H7BrClFN2O/c15-11-7-8-5-6-18-13(16)12(8)14(20)19(11)10-3-1-9(17)2-4-10/h1-7H
InChIKeyPJPOBVHCASTIQT-UHFFFAOYSA-N
MW353.58 g/mol
LogP3.94
Rot. Bonds1

About 3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one

3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one (PubChem CID 123721507) has the molecular formula C14H7BrClFN2O and a molecular weight of 353.58 g/mol. Its IUPAC name is 3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
PubChem CID123721507
Molecular FormulaC14H7BrClFN2O
Molecular Weight353.58 g/mol
Exact Mass351.94
IUPAC Name3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
SMILESO=c1c2c(Cl)nccc2cc(Br)n1-c1ccc(F)cc1
InChIInChI=1S/C14H7BrClFN2O/c15-11-7-8-5-6-18-13(16)12(8)14(20)19(11)10-3-1-9(17)2-4-10/h1-7H
InChIKeyPJPOBVHCASTIQT-UHFFFAOYSA-N
XLogP3.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 53.94
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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Related Compounds

8-bromo-1-chloro-6-fluoroisoquinoline
CID 154727299
3-chloro-1-(4-fluorophenyl)pyrazin-2-one
CID 67221416
2-bromo-6-fluoro-1-(4-fluorophenyl)indole
CID 141051925
1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine
CID 59375375
3-[(1S)-1-aminoethyl]-8-chloro-2-(4-fluorophenyl)isoquinolin-1-one
CID 71232889
1,6,8-trichloroisoquinoline
CID 80505111
2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one
CID 91540274
3-(4-fluorophenyl)-2-phenylpyrimidin-4-one
CID 13280767
2-ethyl-3-(4-fluorophenyl)pyrimidin-4-one
CID 18613749
3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide
CID 123197933
8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
CID 71510986
CID 88965815
CID 88965815

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The IUPAC name of 3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one (CID 123721507) is 3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one is O=c1c2c(Cl)nccc2cc(Br)n1-c1ccc(F)cc1.
What is the InChIKey of 3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The InChIKey is PJPOBVHCASTIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O/c15-11-7-8-5-6-18-13(16)12(8)14(20)19(11)10-3-1-9(17)2-4-10/h1-7H.
What are the key properties of 3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one has a molecular weight of 353.58 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 123721507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).