5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C13H9FN2O2 — CID 82118011

IUPAC5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c[nH]c(=O)c(C#N)c2)cc1F
InChIInChI=1S/C13H9FN2O2/c1-18-12-3-2-8(5-11(12)14)10-4-9(6-15)13(17)16-7-10/h2-5,7H,1H3,(H,16,17)
InChIKeyNLLLXGLGLQZNSI-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.06
Rot. Bonds2

About 5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82118011) has the molecular formula C13H9FN2O2 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82118011
Molecular FormulaC13H9FN2O2
Molecular Weight244.22 g/mol
Exact Mass244.06
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c[nH]c(=O)c(C#N)c2)cc1F
InChIInChI=1S/C13H9FN2O2/c1-18-12-3-2-8(5-11(12)14)10-4-9(6-15)13(17)16-7-10/h2-5,7H,1H3,(H,16,17)
InChIKeyNLLLXGLGLQZNSI-UHFFFAOYSA-N
XLogP2.06
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione
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5-(3-fluoro-4-methoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930255
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile
CID 122200262
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
3-(3-fluoro-4-methoxyphenyl)benzamide
CID 68818750
2-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 107923253
4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid
CID 171735132
3-(3-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 82083568
3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 69060056
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858619

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 82118011) is 5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2c[nH]c(=O)c(C#N)c2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is NLLLXGLGLQZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c1-18-12-3-2-8(5-11(12)14)10-4-9(6-15)13(17)16-7-10/h2-5,7H,1H3,(H,16,17).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 244.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82118011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).