3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile

C15H12N2O — CID 71903547

IUPAC3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESCOc1cccc(C=C(C#N)c2ccccn2)c1
InChIInChI=1S/C15H12N2O/c1-18-14-6-4-5-12(10-14)9-13(11-16)15-7-2-3-8-17-15/h2-10H,1H3
InChIKeyJQFOCSCRLFFXNU-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.15
Rot. Bonds3

About 3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile

3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 71903547) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
PubChem CID71903547
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESCOc1cccc(C=C(C#N)c2ccccn2)c1
InChIInChI=1S/C15H12N2O/c1-18-14-6-4-5-12(10-14)9-13(11-16)15-7-2-3-8-17-15/h2-10H,1H3
InChIKeyJQFOCSCRLFFXNU-UHFFFAOYSA-N
XLogP3.15
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-propan-2-yloxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 47448589
(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
CID 10945343
(Z)-3-naphthalen-2-yl-2-pyridin-2-ylprop-2-enenitrile
CID 6164885
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 7480568
(E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 18532722
(E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 155123442
(E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile
CID 47006188
(Z)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 92861139
(Z)-2-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 86775933
(E)-3-[4-(difluoromethoxy)phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 74766491
3-(4-pentoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 75849804
2-pyridin-2-yl-3-(2,4,6-trimethylphenyl)prop-2-enenitrile
CID 3473649

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of 3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile (CID 71903547) is 3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for 3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile is COc1cccc(C=C(C#N)c2ccccn2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is JQFOCSCRLFFXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-18-14-6-4-5-12(10-14)9-13(11-16)15-7-2-3-8-17-15/h2-10H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 236.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 71903547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).