4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile

C14H12N2O — CID 82114912

IUPAC4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(C)ncc2C#N)c1
InChIInChI=1S/C14H12N2O/c1-10-6-14(12(8-15)9-16-10)11-4-3-5-13(7-11)17-2/h3-7,9H,1-2H3
InChIKeyDBCHGCGGOXNDNC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.94
Rot. Bonds2

About 4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile

4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 82114912) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
PubChem CID82114912
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(C)ncc2C#N)c1
InChIInChI=1S/C14H12N2O/c1-10-6-14(12(8-15)9-16-10)11-4-3-5-13(7-11)17-2/h3-7,9H,1-2H3
InChIKeyDBCHGCGGOXNDNC-UHFFFAOYSA-N
XLogP2.94
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile
CID 82115462
4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile
CID 172914645
5-amino-2-(3-methoxyphenyl)benzonitrile
CID 171663277
2-(3-methoxyphenyl)-3-methylbenzonitrile
CID 172915337
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile
CID 171919375
4-amino-2-fluoro-5-(3-methoxyphenyl)benzonitrile
CID 168654720
3-(3-methoxyphenyl)benzonitrile
CID 4189594
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
1-ethynyl-2-(3-methoxyphenyl)-4-methylbenzene
CID 169408154

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile (CID 82114912) is 4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile is COc1cccc(-c2cc(C)ncc2C#N)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is DBCHGCGGOXNDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-6-14(12(8-15)9-16-10)11-4-3-5-13(7-11)17-2/h3-7,9H,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 82114912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).