7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one

C11H8ClFN2O — CID 57025020

IUPAC7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one
SMILESO=c1ccn(C2CC2)c2nc(Cl)c(F)cc12
InChIInChI=1S/C11H8ClFN2O/c12-10-8(13)5-7-9(16)3-4-15(6-1-2-6)11(7)14-10/h3-6H,1-2H2
InChIKeySCANHWGNLLBPRH-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.52
Rot. Bonds1

About 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one

7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one (PubChem CID 57025020) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one
PubChem CID57025020
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one
SMILESO=c1ccn(C2CC2)c2nc(Cl)c(F)cc12
InChIInChI=1S/C11H8ClFN2O/c12-10-8(13)5-7-9(16)3-4-15(6-1-2-6)11(7)14-10/h3-6H,1-2H2
InChIKeySCANHWGNLLBPRH-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.52
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

7-Chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
CID 6105572
7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 11055142
6-Chloro-2-(4-fluoro-phenyl)-1H-[1,8]naphthyridin-4-one
CID 386580
7-Chloro-1,8-naphthyridin-4-ol
CID 53485714
6-fluoro-7-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one
CID 44340437
7-Chloro-1-(2,4-difluorophenyl)-2-methylsulfanyl-1,8-naphthyridin-4-one
CID 135020418
7-chloro-9-cyclopropyl-6-fluoro-isothiazolo[5,4-b][1,8]naphthyridine-3,4(2H,9H)-dione
CID 15121566
7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one
CID 18710237
7-Chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one
CID 19090512
7-Chloro-1-ethyl-6-fluoro-1,8-naphthyridin-4-one
CID 20246043
7-Chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one
CID 20790398
7-Chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one
CID 20791113

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one?
The IUPAC name of 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one (CID 57025020) is 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one?
The canonical SMILES for 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one is O=c1ccn(C2CC2)c2nc(Cl)c(F)cc12.
What is the InChIKey of 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one?
The InChIKey is SCANHWGNLLBPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-10-8(13)5-7-9(16)3-4-15(6-1-2-6)11(7)14-10/h3-6H,1-2H2.
What are the key properties of 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one?
7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one has a molecular weight of 238.65 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one is sourced from PubChem (CID 57025020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).