8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one

C8H4ClFN2O2 — CID 135894469

IUPAC8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2c(Cl)ccnc2c(F)c1O
InChIInChI=1S/C8H4ClFN2O2/c9-3-1-2-11-6-4(10)7(13)8(14)12-5(3)6/h1-2,13H,(H,12,14)
InChIKeyKNXCZQYXJJVAEF-UHFFFAOYSA-N
MW214.58 g/mol
LogP1.42
Rot. Bonds

About 8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one

8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one (PubChem CID 135894469) has the molecular formula C8H4ClFN2O2 and a molecular weight of 214.58 g/mol. Its IUPAC name is 8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one
PubChem CID135894469
Molecular FormulaC8H4ClFN2O2
Molecular Weight214.58 g/mol
Exact Mass213.99
IUPAC Name8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2c(Cl)ccnc2c(F)c1O
InChIInChI=1S/C8H4ClFN2O2/c9-3-1-2-11-6-4(10)7(13)8(14)12-5(3)6/h1-2,13H,(H,12,14)
InChIKeyKNXCZQYXJJVAEF-UHFFFAOYSA-N
XLogP1.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.58
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one?
The IUPAC name of 8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one (CID 135894469) is 8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one is O=c1[nH]c2c(Cl)ccnc2c(F)c1O.
What is the InChIKey of 8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one?
The InChIKey is KNXCZQYXJJVAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O2/c9-3-1-2-11-6-4(10)7(13)8(14)12-5(3)6/h1-2,13H,(H,12,14).
What are the key properties of 8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one?
8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one has a molecular weight of 214.58 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-fluoro-3-hydroxy-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 135894469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).