(Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile

C15H9ClF2N2 — CID 82814758

IUPAC(Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile
SMILESCc1ccc(F)c(/C(Cl)=C(/C#N)c2cccnc2)c1F
InChIInChI=1S/C15H9ClF2N2/c1-9-4-5-12(17)13(15(9)18)14(16)11(7-19)10-3-2-6-20-8-10/h2-6,8H,1H3/b14-11+
InChIKeyVGJUZQARSQOAMY-SDNWHVSQSA-N
MW290.70 g/mol
LogP4.30
Rot. Bonds2

About (Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile

(Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile (PubChem CID 82814758) has the molecular formula C15H9ClF2N2 and a molecular weight of 290.70 g/mol. Its IUPAC name is (Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile
PubChem CID82814758
Molecular FormulaC15H9ClF2N2
Molecular Weight290.70 g/mol
Exact Mass290.04
IUPAC Name(Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile
SMILESCc1ccc(F)c(/C(Cl)=C(/C#N)c2cccnc2)c1F
InChIInChI=1S/C15H9ClF2N2/c1-9-4-5-12(17)13(15(9)18)14(16)11(7-19)10-3-2-6-20-8-10/h2-6,8H,1H3/b14-11+
InChIKeyVGJUZQARSQOAMY-SDNWHVSQSA-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 ≤ 500290.70
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-chloro-3-(4-iodophenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 80523322
(E)-3-chloro-2-pyridin-3-yl-3-thiophen-3-ylprop-2-enenitrile
CID 80523437
(E)-3-chloro-2-pyridin-3-yl-3-thiophen-2-ylprop-2-enenitrile
CID 80523230
(Z)-3-chloro-3-(4-ethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 80523014
(Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile
CID 80523272
(Z)-3-(3-bromo-4-methoxyphenyl)-3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 80523308
(E)-3-chloro-3-(2,5-dibromothiophen-3-yl)-2-pyridin-3-ylprop-2-enenitrile
CID 114021414
(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
CID 106941643
3-chloro-3-pyridin-3-ylprop-2-enenitrile
CID 74864132
(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile
CID 6145439
3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 91475354
(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone
CID 82820337

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile (CID 82814758) is (Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile is Cc1ccc(F)c(/C(Cl)=C(/C#N)c2cccnc2)c1F.
What is the InChIKey of (Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile?
The InChIKey is VGJUZQARSQOAMY-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H9ClF2N2/c1-9-4-5-12(17)13(15(9)18)14(16)11(7-19)10-3-2-6-20-8-10/h2-6,8H,1H3/b14-11+.
What are the key properties of (Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile?
(Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile has a molecular weight of 290.70 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 (Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 82814758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).