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

C15H17ClF2N2O — CID 142374666

IUPAC7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one
SMILESCCC(CC)n1c(=O)c(C(F)F)c(C)c2cnc(Cl)cc21
InChIInChI=1S/C15H17ClF2N2O/c1-4-9(5-2)20-11-6-12(16)19-7-10(11)8(3)13(14(17)18)15(20)21/h6-7,9,14H,4-5H2,1-3H3
InChIKeyOKIFQYLNLOPMBC-UHFFFAOYSA-N
MW314.76 g/mol
LogP4.66
Rot. Bonds4

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

7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one (PubChem CID 142374666) has the molecular formula C15H17ClF2N2O and a molecular weight of 314.76 g/mol. Its IUPAC name is 7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one
PubChem CID142374666
Molecular FormulaC15H17ClF2N2O
Molecular Weight314.76 g/mol
Exact Mass314.10
IUPAC Name7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one
SMILESCCC(CC)n1c(=O)c(C(F)F)c(C)c2cnc(Cl)cc21
InChIInChI=1S/C15H17ClF2N2O/c1-4-9(5-2)20-11-6-12(16)19-7-10(11)8(3)13(14(17)18)15(20)21/h6-7,9,14H,4-5H2,1-3H3
InChIKeyOKIFQYLNLOPMBC-UHFFFAOYSA-N
XLogP4.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.76
LogP ≤ 54.66
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-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide
CID 59843549
N-(4-chlorophenyl)-N-methyl-4-(trifluoromethyl)nicotinamide
CID 2726834
3-(2-chloro-6-fluorophenyl)-N-4-pyridinylacrylamide
CID 898452
Propanamide, N-(2-chlorophenyl)-2,2-dimethyl-N-(3-pyridinylmethyl)-
CID 175698
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-[3-(6-Chloro-3-pyridyl)azetidin-1-yl]-4,4,4-trifluoro-butan-1-one
CID 137512055
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
2-(6-Chloro-3-pyridinyl)-1-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 72040080
2-chloro-N-ethyl-4,5-difluoro-N-pyridin-4-ylbenzamide
CID 121584675

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one (CID 142374666) is 7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one is CCC(CC)n1c(=O)c(C(F)F)c(C)c2cnc(Cl)cc21.
What is the InChIKey of 7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one?
The InChIKey is OKIFQYLNLOPMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2O/c1-4-9(5-2)20-11-6-12(16)19-7-10(11)8(3)13(14(17)18)15(20)21/h6-7,9,14H,4-5H2,1-3H3.
What are the key properties of 7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one?
7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one has a molecular weight of 314.76 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(difluoromethyl)-4-methyl-1-pentan-3-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 142374666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).