3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile

C14H8Cl2N2 — CID 3664547

IUPAC3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#CC(=Cc1c(Cl)cccc1Cl)c1ccccn1
InChIInChI=1S/C14H8Cl2N2/c15-12-4-3-5-13(16)11(12)8-10(9-17)14-6-1-2-7-18-14/h1-8H
InChIKeyBZYWZSKVQGKCJK-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.45
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile

3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 3664547) has the molecular formula C14H8Cl2N2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
PubChem CID3664547
Molecular FormulaC14H8Cl2N2
Molecular Weight275.14 g/mol
Exact Mass274.01
IUPAC Name3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#CC(=Cc1c(Cl)cccc1Cl)c1ccccn1
InChIInChI=1S/C14H8Cl2N2/c15-12-4-3-5-13(16)11(12)8-10(9-17)14-6-1-2-7-18-14/h1-8H
InChIKeyBZYWZSKVQGKCJK-UHFFFAOYSA-N
XLogP4.45
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.45
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-hydroxy-2-pyridin-2-ylprop-2-enenitrile
CID 136664514
2-pyridin-2-yl-3-(2,4,6-trimethylphenyl)prop-2-enenitrile
CID 3473649
3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile
CID 2826034
(Z)-3-(2,6-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662540
(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 47005650
(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
CID 7911576
(Z)-3-naphthalen-2-yl-2-pyridin-2-ylprop-2-enenitrile
CID 6164885
3-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile
CID 4056061
4,6-dichloro-3-[(E)-2-cyano-2-pyridin-2-ylethenyl]-1H-indole-2-carboxylic acid
CID 11739826
(Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 38864631
(E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 18532722
3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 71903547

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile (CID 3664547) is 3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile is N#CC(=Cc1c(Cl)cccc1Cl)c1ccccn1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is BZYWZSKVQGKCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2/c15-12-4-3-5-13(16)11(12)8-10(9-17)14-6-1-2-7-18-14/h1-8H.
What are the key properties of 3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile?
3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 275.14 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 3664547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).