2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile

C14H12N2O — CID 112549824

IUPAC2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile
SMILESCc1cccnc1COc1ccccc1C#N
InChIInChI=1S/C14H12N2O/c1-11-5-4-8-16-13(11)10-17-14-7-3-2-6-12(14)9-15/h2-8H,10H2,1H3
InChIKeyFGAKLDFBYGGECK-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.84
Rot. Bonds3

About 2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile

2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile (PubChem CID 112549824) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile
PubChem CID112549824
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile
SMILESCc1cccnc1COc1ccccc1C#N
InChIInChI=1S/C14H12N2O/c1-11-5-4-8-16-13(11)10-17-14-7-3-2-6-12(14)9-15/h2-8H,10H2,1H3
InChIKeyFGAKLDFBYGGECK-UHFFFAOYSA-N
XLogP2.84
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-iodophenoxy)methyl]-3-methylpyridine
CID 112549846
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 112650634
trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 115982170
2-[[2-[2-(2-methylphenyl)ethynyl]phenyl]methoxy]benzonitrile
CID 122386147
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
(1R)-1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
CID 103954577
2-(methoxymethoxy)benzonitrile
CID 10352018
(NZ)-N-[1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 112650504
2-phenylmethoxybenzonitrile;propane
CID 142369146
2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile
CID 112650342

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile (CID 112549824) is 2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile is Cc1cccnc1COc1ccccc1C#N.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile?
The InChIKey is FGAKLDFBYGGECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-11-5-4-8-16-13(11)10-17-14-7-3-2-6-12(14)9-15/h2-8H,10H2,1H3.
What are the key properties of 2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile?
2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile is sourced from PubChem (CID 112549824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).