4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one

C8H4F2N2O2 — CID 46211866

IUPAC4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one
SMILESO=c1[nH]c2c(F)cncc2c(F)c1O
InChIInChI=1S/C8H4F2N2O2/c9-4-2-11-1-3-5(10)7(13)8(14)12-6(3)4/h1-2,13H,(H,12,14)
InChIKeyRRRWYJYEAGCYQH-UHFFFAOYSA-N
MW198.13 g/mol
LogP0.91
Rot. Bonds

About 4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one

4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one (PubChem CID 46211866) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one
PubChem CID46211866
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one
SMILESO=c1[nH]c2c(F)cncc2c(F)c1O
InChIInChI=1S/C8H4F2N2O2/c9-4-2-11-1-3-5(10)7(13)8(14)12-6(3)4/h1-2,13H,(H,12,14)
InChIKeyRRRWYJYEAGCYQH-UHFFFAOYSA-N
XLogP0.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one
CID 68637756
7-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53413169
8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one
CID 135894469
8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 102941662
4,5-difluoro-3-hydroxy-1H-1,8-naphthyridin-2-one
CID 46211865
5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
CID 166547715
5-ethyl-8-fluoro-3-hydroxy-1H-quinolin-2-one
CID 68636296
N-[(7-fluoro-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]formamide
CID 166139788
7-bromo-3-(1,1-dideuterio-2-hydroxyethyl)-8-fluoro-4-hydroxy-1H-quinolin-2-one
CID 169302798
6-hydroxy-1H-pyrazin-2-one
CID 19816947
4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one
CID 175928743
3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one
CID 171473819

Frequently Asked Questions

What is the IUPAC name of 4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one?
The IUPAC name of 4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one (CID 46211866) is 4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one is O=c1[nH]c2c(F)cncc2c(F)c1O.
What is the InChIKey of 4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one?
The InChIKey is RRRWYJYEAGCYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-4-2-11-1-3-5(10)7(13)8(14)12-6(3)4/h1-2,13H,(H,12,14).
What are the key properties of 4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one?
4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one has a molecular weight of 198.13 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 46211866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).