3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile

C18H12N2 — CID 2826034

IUPAC3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile
SMILESN#CC(=Cc1cccc2ccccc12)c1ccccn1
InChIInChI=1S/C18H12N2/c19-13-16(18-10-3-4-11-20-18)12-15-8-5-7-14-6-1-2-9-17(14)15/h1-12H
InChIKeyLFWISBONUKNTDB-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.30
Rot. Bonds2

About 3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile

3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 2826034) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile
PubChem CID2826034
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile
SMILESN#CC(=Cc1cccc2ccccc12)c1ccccn1
InChIInChI=1S/C18H12N2/c19-13-16(18-10-3-4-11-20-18)12-15-8-5-7-14-6-1-2-9-17(14)15/h1-12H
InChIKeyLFWISBONUKNTDB-UHFFFAOYSA-N
XLogP4.30
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
CID 7372758
(Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662512
3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 3664547
(Z)-3-naphthalen-2-yl-2-pyridin-2-ylprop-2-enenitrile
CID 6164885
2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
CID 4600650
(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 135615702
(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
CID 136664514
(Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 17464363
3-(2,5-dimethylphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 5217687
2-pyridin-2-yl-3-(2,4,6-trimethylphenyl)prop-2-enenitrile
CID 3473649
(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
CID 7911576
(E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 155123442

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of 3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile (CID 2826034) is 3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for 3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for 3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile is N#CC(=Cc1cccc2ccccc12)c1ccccn1.
What is the InChIKey of 3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is LFWISBONUKNTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c19-13-16(18-10-3-4-11-20-18)12-15-8-5-7-14-6-1-2-9-17(14)15/h1-12H.
What are the key properties of 3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile?
3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 256.31 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 2826034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).