4-(3-methoxy-2-pyridinyl)benzonitrile

C13H10N2O — CID 67291948

IUPAC4-(3-methoxy-2-pyridinyl)benzonitrile
SMILESCOc1cccnc1-c1ccc(C#N)cc1
InChIInChI=1S/C13H10N2O/c1-16-12-3-2-8-15-13(12)11-6-4-10(9-14)5-7-11/h2-8H,1H3
InChIKeyNUEPJIDHJSTAJI-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.63
Rot. Bonds2

About 4-(3-methoxy-2-pyridinyl)benzonitrile

4-(3-methoxy-2-pyridinyl)benzonitrile (PubChem CID 67291948) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(3-methoxy-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4-(3-methoxy-2-pyridinyl)benzonitrile
PubChem CID67291948
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-(3-methoxy-2-pyridinyl)benzonitrile
SMILESCOc1cccnc1-c1ccc(C#N)cc1
InChIInChI=1S/C13H10N2O/c1-16-12-3-2-8-15-13(12)11-6-4-10(9-14)5-7-11/h2-8H,1H3
InChIKeyNUEPJIDHJSTAJI-UHFFFAOYSA-N
XLogP2.63
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-methoxypyridine
CID 90122541
3-methoxy-2-(4-propan-2-ylphenyl)pyridine
CID 135075051
4-[3-[(2S,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxy-2-pyridinyl]benzonitrile
CID 67292252
4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile
CID 154644718
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
4-[2-(4-methoxyphenyl)sulfinyl-3-pyridinyl]benzonitrile
CID 53359817
4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile
CID 57057404
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104
4-(5-bromo-3-methoxythiophen-2-yl)benzonitrile
CID 121013654
4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile
CID 51142108
4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile
CID 138708647
N-[6-(4-cyanophenyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(2-methoxyphenyl)pyridine-3-carboxamide
CID 168984835

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-pyridinyl)benzonitrile?
The IUPAC name of 4-(3-methoxy-2-pyridinyl)benzonitrile (CID 67291948) is 4-(3-methoxy-2-pyridinyl)benzonitrile.
What is the SMILES notation for 4-(3-methoxy-2-pyridinyl)benzonitrile?
The canonical SMILES for 4-(3-methoxy-2-pyridinyl)benzonitrile is COc1cccnc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(3-methoxy-2-pyridinyl)benzonitrile?
The InChIKey is NUEPJIDHJSTAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-16-12-3-2-8-15-13(12)11-6-4-10(9-14)5-7-11/h2-8H,1H3.
What are the key properties of 4-(3-methoxy-2-pyridinyl)benzonitrile?
4-(3-methoxy-2-pyridinyl)benzonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-pyridinyl)benzonitrile is sourced from PubChem (CID 67291948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).