3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one

C9H10F2N2O — CID 163985694

IUPAC3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]c(C(F)F)cc2c1CNCC2
InChIInChI=1S/C9H10F2N2O/c10-8(11)7-3-5-1-2-12-4-6(5)9(14)13-7/h3,8,12H,1-2,4H2,(H,13,14)
InChIKeyTWCKQIOBYAWUDZ-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.96
Rot. Bonds1

About 3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one

3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one (PubChem CID 163985694) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one
PubChem CID163985694
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]c(C(F)F)cc2c1CNCC2
InChIInChI=1S/C9H10F2N2O/c10-8(11)7-3-5-1-2-12-4-6(5)9(14)13-7/h3,8,12H,1-2,4H2,(H,13,14)
InChIKeyTWCKQIOBYAWUDZ-UHFFFAOYSA-N
XLogP0.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5,6,7,8-tetrahydro-6-trifluoroacetyl-1,6-naphthyridin-4(1H)-one
CID 19771695
6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
CID 22218162
4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
CID 22218181
6-(Heptafluoropropyl)-2-oxo-N-propyl-1,2-dihydropyridine-3-carboxamide
CID 59828242
3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-2(1h)-pyridinone
CID 67124055
6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one
CID 68736633
4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one
CID 69047390
6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
CID 70023407
3-(Aminomethyl)-4-methyl-6-(trifluoromethyl)pyridin-2-ol
CID 71433049
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84558717
3-Fluoro-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 89388831
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one hydrochloride
CID 90102279

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one?
The IUPAC name of 3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one (CID 163985694) is 3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one is O=c1[nH]c(C(F)F)cc2c1CNCC2.
What is the InChIKey of 3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one?
The InChIKey is TWCKQIOBYAWUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-8(11)7-3-5-1-2-12-4-6(5)9(14)13-7/h3,8,12H,1-2,4H2,(H,13,14).
What are the key properties of 3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one?
3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one has a molecular weight of 200.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 163985694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).