5-fluoro-2-oxo-1H-quinoline-7-carbonitrile

C10H5FN2O — CID 141163132

IUPAC5-fluoro-2-oxo-1H-quinoline-7-carbonitrile
SMILESN#Cc1cc(F)c2ccc(=O)[nH]c2c1
InChIInChI=1S/C10H5FN2O/c11-8-3-6(5-12)4-9-7(8)1-2-10(14)13-9/h1-4H,(H,13,14)
InChIKeyCWQQKZHFFOGRQV-UHFFFAOYSA-N
MW188.16 g/mol
LogP1.54
Rot. Bonds

About 5-fluoro-2-oxo-1H-quinoline-7-carbonitrile

5-fluoro-2-oxo-1H-quinoline-7-carbonitrile (PubChem CID 141163132) has the molecular formula C10H5FN2O and a molecular weight of 188.16 g/mol. Its IUPAC name is 5-fluoro-2-oxo-1H-quinoline-7-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-oxo-1H-quinoline-7-carbonitrile
PubChem CID141163132
Molecular FormulaC10H5FN2O
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name5-fluoro-2-oxo-1H-quinoline-7-carbonitrile
SMILESN#Cc1cc(F)c2ccc(=O)[nH]c2c1
InChIInChI=1S/C10H5FN2O/c11-8-3-6(5-12)4-9-7(8)1-2-10(14)13-9/h1-4H,(H,13,14)
InChIKeyCWQQKZHFFOGRQV-UHFFFAOYSA-N
XLogP1.54
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(2,4-dioxopyrimidin-1-yl)methyl]-3-fluorobenzonitrile
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9H-pyrido[3,4-b]indole-7-carbonitrile
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7-methoxy-9H-carbazole-2-carbonitrile
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3-fluoro-4-iodobenzonitrile
CID 24721521
(4-cyano-2,6-difluorophenyl) acetate
CID 151898327
3-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-1H-quinoline-7-carbonitrile
CID 45498332
N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
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3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile
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3-ethyl-2-methyl-1H-indole-6-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-oxo-1H-quinoline-7-carbonitrile?
The IUPAC name of 5-fluoro-2-oxo-1H-quinoline-7-carbonitrile (CID 141163132) is 5-fluoro-2-oxo-1H-quinoline-7-carbonitrile.
What is the SMILES notation for 5-fluoro-2-oxo-1H-quinoline-7-carbonitrile?
The canonical SMILES for 5-fluoro-2-oxo-1H-quinoline-7-carbonitrile is N#Cc1cc(F)c2ccc(=O)[nH]c2c1.
What is the InChIKey of 5-fluoro-2-oxo-1H-quinoline-7-carbonitrile?
The InChIKey is CWQQKZHFFOGRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2O/c11-8-3-6(5-12)4-9-7(8)1-2-10(14)13-9/h1-4H,(H,13,14).
What are the key properties of 5-fluoro-2-oxo-1H-quinoline-7-carbonitrile?
5-fluoro-2-oxo-1H-quinoline-7-carbonitrile has a molecular weight of 188.16 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-oxo-1H-quinoline-7-carbonitrile is sourced from PubChem (CID 141163132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).