7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one

C15H15ClF2N2O — CID 139580454

IUPAC7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one
SMILESCc1c(C(F)F)c(=O)n(C2CCCC2)c2cc(Cl)ncc12
InChIInChI=1S/C15H15ClF2N2O/c1-8-10-7-19-12(16)6-11(10)20(9-4-2-3-5-9)15(21)13(8)14(17)18/h6-7,9,14H,2-5H2,1H3
InChIKeyBQCVLPPVYFCLEP-UHFFFAOYSA-N
MW312.75 g/mol
LogP4.41
Rot. Bonds2

About 7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one

7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one (PubChem CID 139580454) has the molecular formula C15H15ClF2N2O and a molecular weight of 312.75 g/mol. Its IUPAC name is 7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one
PubChem CID139580454
Molecular FormulaC15H15ClF2N2O
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC Name7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one
SMILESCc1c(C(F)F)c(=O)n(C2CCCC2)c2cc(Cl)ncc12
InChIInChI=1S/C15H15ClF2N2O/c1-8-10-7-19-12(16)6-11(10)20(9-4-2-3-5-9)15(21)13(8)14(17)18/h6-7,9,14H,2-5H2,1H3
InChIKeyBQCVLPPVYFCLEP-UHFFFAOYSA-N
XLogP4.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.41
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

N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)nicotinamide
CID 2726834
1,5-dimethyl-1,6-naphthyridin-2(1H)-one
CID 13232051
1-[4-(2-Chloro-4-pyridyl)-4-fluoro-1-piperidyl]-4,4,4-trifluoro-butan-1-one
CID 137500261
1-[4-(2-Chloro-4-pyridyl)-1-piperidyl]-4,4,4-trifluoro-butan-1-one
CID 137500546
1-((6-Chloropyridin-3-yl)methyl)-1,2-dihydropyridin-2-one
CID 20119777
N-(4-chlorophenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726835
(3S)-3-[(3-chloro-4-pyridinyl)methyl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97584471
2-chloro-N-ethyl-4,5-difluoro-N-pyridin-4-ylbenzamide
CID 121584675
N-[(3-pyridyl)methyl]-N-(4-chlorophenyl)-alpha,alpha,alpha-trifluoroacetamide
CID 13652445
7-fluoro-1-ethyl-1H-[1,6]naphthyridin-2-one
CID 22124621
1-(3-Chloromethyl-4-methyl-pyridin-2-ylmethyl)-3-trifluoromethyl-1H-pyridin-2-one
CID 44191035
6-Chloro-3-[N-(cyclohexyl)-N-(2,2,2-trifluoroacetyl)-aminomethyl]-pyridine
CID 58495448

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one (CID 139580454) is 7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one is Cc1c(C(F)F)c(=O)n(C2CCCC2)c2cc(Cl)ncc12.
What is the InChIKey of 7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one?
The InChIKey is BQCVLPPVYFCLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O/c1-8-10-7-19-12(16)6-11(10)20(9-4-2-3-5-9)15(21)13(8)14(17)18/h6-7,9,14H,2-5H2,1H3.
What are the key properties of 7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one?
7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one has a molecular weight of 312.75 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopentyl-3-(difluoromethyl)-4-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 139580454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).