2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile

C14H12N2O — CID 133095599

IUPAC2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
SMILESCOc1c(CC#N)ccnc1-c1ccccc1
InChIInChI=1S/C14H12N2O/c1-17-14-12(7-9-15)8-10-16-13(14)11-5-3-2-4-6-11/h2-6,8,10H,7H2,1H3
InChIKeyLRHJVNSOBBYDDF-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.82
Rot. Bonds3

About 2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile

2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile (PubChem CID 133095599) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
PubChem CID133095599
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
SMILESCOc1c(CC#N)ccnc1-c1ccccc1
InChIInChI=1S/C14H12N2O/c1-17-14-12(7-9-15)8-10-16-13(14)11-5-3-2-4-6-11/h2-6,8,10H,7H2,1H3
InChIKeyLRHJVNSOBBYDDF-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid
CID 133095598
5,6,7-trimethoxy-1-phenylisoquinoline
CID 134913791
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
2-[1-[4-(methylamino)phenyl]isoquinolin-5-yl]acetonitrile
CID 20533955
2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
CID 119012419
2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001889
7-methoxy-1-phenylisoquinoline
CID 86087026
2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile
CID 119004765
2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131869741
7,8-dimethoxy-1-phenylisoquinoline
CID 134913622
2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile
CID 131870107

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile (CID 133095599) is 2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile is COc1c(CC#N)ccnc1-c1ccccc1.
What is the InChIKey of 2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile?
The InChIKey is LRHJVNSOBBYDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-14-12(7-9-15)8-10-16-13(14)11-5-3-2-4-6-11/h2-6,8,10H,7H2,1H3.
What are the key properties of 2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile?
2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile is sourced from PubChem (CID 133095599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).