2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile

C13H7Cl3N2 — CID 118847553

IUPAC2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl3N2/c14-9-6-10(15)13(11(16)7-9)12-5-8(1-3-17)2-4-18-12/h2,4-7H,1H2
InChIKeyBZYSTFYICQZQKJ-UHFFFAOYSA-N
MW297.57 g/mol
LogP4.77
Rot. Bonds2

About 2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile

2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 118847553) has the molecular formula C13H7Cl3N2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile
PubChem CID118847553
Molecular FormulaC13H7Cl3N2
Molecular Weight297.57 g/mol
Exact Mass295.97
IUPAC Name2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl3N2/c14-9-6-10(15)13(11(16)7-9)12-5-8(1-3-17)2-4-18-12/h2,4-7H,1H2
InChIKeyBZYSTFYICQZQKJ-UHFFFAOYSA-N
XLogP4.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.57
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001916
2-[2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001914
2-(2-amino-4-pyridinyl)acetonitrile
CID 45382143
2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637241
2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618255
2-(2-trimethylsilyl-4-pyridinyl)acetonitrile
CID 175447019
2-(2-nitro-4-pyridinyl)acetonitrile
CID 142662159
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134636914
2-[4-fluoro-3-(2,3,4,5,6-pentachlorophenyl)phenyl]acetonitrile
CID 134631147
2-(6-chloroquinolin-4-yl)acetonitrile
CID 84777023

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile (CID 118847553) is 2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile is N#CCc1ccnc(-c2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is BZYSTFYICQZQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2/c14-9-6-10(15)13(11(16)7-9)12-5-8(1-3-17)2-4-18-12/h2,4-7H,1H2.
What are the key properties of 2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile?
2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile has a molecular weight of 297.57 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 118847553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).