2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile

C12H7FN2O — CID 122200262

IUPAC2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile
SMILESN#Cc1cc(-c2ccc(=O)[nH]c2)ccc1F
InChIInChI=1S/C12H7FN2O/c13-11-3-1-8(5-10(11)6-14)9-2-4-12(16)15-7-9/h1-5,7H,(H,15,16)
InChIKeyUTMJIMPNCRKRJL-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.05
Rot. Bonds1

About 2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile

2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile (PubChem CID 122200262) has the molecular formula C12H7FN2O and a molecular weight of 214.20 g/mol. Its IUPAC name is 2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile
PubChem CID122200262
Molecular FormulaC12H7FN2O
Molecular Weight214.20 g/mol
Exact Mass214.05
IUPAC Name2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile
SMILESN#Cc1cc(-c2ccc(=O)[nH]c2)ccc1F
InChIInChI=1S/C12H7FN2O/c13-11-3-1-8(5-10(11)6-14)9-2-4-12(16)15-7-9/h1-5,7H,(H,15,16)
InChIKeyUTMJIMPNCRKRJL-UHFFFAOYSA-N
XLogP2.05
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile (CID 122200262) is 2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile is N#Cc1cc(-c2ccc(=O)[nH]c2)ccc1F.
What is the InChIKey of 2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile?
The InChIKey is UTMJIMPNCRKRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O/c13-11-3-1-8(5-10(11)6-14)9-2-4-12(16)15-7-9/h1-5,7H,(H,15,16).
What are the key properties of 2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile?
2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile has a molecular weight of 214.20 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile is sourced from PubChem (CID 122200262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).