2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile

C15H14N2O — CID 112650342

IUPAC2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile
SMILESCc1cccnc1COc1ccc(CC#N)cc1
InChIInChI=1S/C15H14N2O/c1-12-3-2-10-17-15(12)11-18-14-6-4-13(5-7-14)8-9-16/h2-7,10H,8,11H2,1H3
InChIKeyIWQNQQOOTBZYPX-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.04
Rot. Bonds4

About 2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile

2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile (PubChem CID 112650342) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile
PubChem CID112650342
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile
SMILESCc1cccnc1COc1ccc(CC#N)cc1
InChIInChI=1S/C15H14N2O/c1-12-3-2-10-17-15(12)11-18-14-6-4-13(5-7-14)8-9-16/h2-7,10H,8,11H2,1H3
InChIKeyIWQNQQOOTBZYPX-UHFFFAOYSA-N
XLogP3.04
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-ol
CID 112650663
4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol
CID 115982097
3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
CID 67026425
2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 115981790
N-ethyl-1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115981835
2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile
CID 62464232
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile
CID 112549824
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetonitrile
CID 43144039
3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine
CID 115981883
(1R)-1-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 107718507
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile (CID 112650342) is 2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile is Cc1cccnc1COc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile?
The InChIKey is IWQNQQOOTBZYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-12-3-2-10-17-15(12)11-18-14-6-4-13(5-7-14)8-9-16/h2-7,10H,8,11H2,1H3.
What are the key properties of 2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile?
2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 112650342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).