6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile

C9H3ClFN3O — CID 170903916

IUPAC6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2cc(F)c(Cl)nc2c1=O
InChIInChI=1S/C9H3ClFN3O/c10-9-5(11)1-6-7(14-9)8(15)4(2-12)3-13-6/h1,3H,(H,13,15)
InChIKeyFPOMVLYLBILFLI-UHFFFAOYSA-N
MW223.59 g/mol
LogP1.59
Rot. Bonds

About 6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile

6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 170903916) has the molecular formula C9H3ClFN3O and a molecular weight of 223.59 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID170903916
Molecular FormulaC9H3ClFN3O
Molecular Weight223.59 g/mol
Exact Mass222.99
IUPAC Name6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2cc(F)c(Cl)nc2c1=O
InChIInChI=1S/C9H3ClFN3O/c10-9-5(11)1-6-7(14-9)8(15)4(2-12)3-13-6/h1,3H,(H,13,15)
InChIKeyFPOMVLYLBILFLI-UHFFFAOYSA-N
XLogP1.59
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.59
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 170903916) is 6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile is N#Cc1c[nH]c2cc(F)c(Cl)nc2c1=O.
What is the InChIKey of 6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is FPOMVLYLBILFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClFN3O/c10-9-5(11)1-6-7(14-9)8(15)4(2-12)3-13-6/h1,3H,(H,13,15).
What are the key properties of 6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 223.59 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 170903916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).