2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile

C15H14N2O — CID 82452851

IUPAC2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
SMILESCOc1ccccc1-c1ccc(CC#N)c(C)n1
InChIInChI=1S/C15H14N2O/c1-11-12(9-10-16)7-8-14(17-11)13-5-3-4-6-15(13)18-2/h3-8H,9H2,1-2H3
InChIKeyKABPLDKOJVEKHI-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.13
Rot. Bonds3

About 2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile

2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile (PubChem CID 82452851) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
PubChem CID82452851
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
SMILESCOc1ccccc1-c1ccc(CC#N)c(C)n1
InChIInChI=1S/C15H14N2O/c1-11-12(9-10-16)7-8-14(17-11)13-5-3-4-6-15(13)18-2/h3-8H,9H2,1-2H3
InChIKeyKABPLDKOJVEKHI-UHFFFAOYSA-N
XLogP3.13
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001949
2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133093995
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
2-[2-(2-methoxyphenyl)-4-(trifluoromethyl)phenyl]acetonitrile
CID 172650232
3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine
CID 82452946
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452931
5-(2-methoxyphenyl)-3-methyl-2-phenylpyrazine
CID 68842522
5-(2-methoxyphenyl)-2-methyl-[1,3]oxazolo[4,5-b]pyridine
CID 117000974
[6-(2-methoxyphenyl)-2-pyridinyl]methanol
CID 24730094

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile (CID 82452851) is 2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile is COc1ccccc1-c1ccc(CC#N)c(C)n1.
What is the InChIKey of 2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile?
The InChIKey is KABPLDKOJVEKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-12(9-10-16)7-8-14(17-11)13-5-3-4-6-15(13)18-2/h3-8H,9H2,1-2H3.
What are the key properties of 2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile?
2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82452851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).