3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one

C8H9FN2O — CID 176653805

IUPAC3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one
SMILESO=c1[nH]c2c(cc1F)CCNC2
InChIInChI=1S/C8H9FN2O/c9-6-3-5-1-2-10-4-7(5)11-8(6)12/h3,10H,1-2,4H2,(H,11,12)
InChIKeyLUEBDANGYDFMHF-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.16
Rot. Bonds

About 3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one

3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one (PubChem CID 176653805) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one
PubChem CID176653805
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one
SMILESO=c1[nH]c2c(cc1F)CCNC2
InChIInChI=1S/C8H9FN2O/c9-6-3-5-1-2-10-4-7(5)11-8(6)12/h3,10H,1-2,4H2,(H,11,12)
InChIKeyLUEBDANGYDFMHF-UHFFFAOYSA-N
XLogP0.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5,6,7,8-Hexahydro-1,6-naphthyridin-2-one hydrochloride
CID 66523912
5,6,7,8-Tetrahydro-1,6-naphthyridin-2(1H)-one
CID 21071189
5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one
CID 69388423
3-Fluoro-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 89388831
5,6,7,8-tetrahydro-1,7-naphthyridine-2(1H)-one trifluoroacetate
CID 122512984
(2-Oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate
CID 140963621
3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one
CID 163985694
(S)-8-Methyl-7-(2,2,2-trifluoroacetyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,7-naphthyridin-2(1H)-one
CID 168445792
3-(Trifluoromethyl)-1,5,6,7,8,9-hexahydropyrido[2,3-c]azepin-2-one
CID 171776896
2-Fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175516729
N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175565382
3-(difluoromethyl)-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one
CID 176653804

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one (CID 176653805) is 3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one is O=c1[nH]c2c(cc1F)CCNC2.
What is the InChIKey of 3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one?
The InChIKey is LUEBDANGYDFMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-6-3-5-1-2-10-4-7(5)11-8(6)12/h3,10H,1-2,4H2,(H,11,12).
What are the key properties of 3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one?
3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one has a molecular weight of 168.17 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 176653805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).