2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile

C19H8Cl6N2 — CID 134637241

IUPAC2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2cc(Cl)cc(Cl)c2Cl)nc(-c2cc(Cl)cc(Cl)c2Cl)c1
InChIInChI=1S/C19H8Cl6N2/c20-10-5-12(18(24)14(22)7-10)16-3-9(1-2-26)4-17(27-16)13-6-11(21)8-15(23)19(13)25/h3-8H,1H2
InChIKeyNZAZIRLQNMZKMO-UHFFFAOYSA-N
MW477.01 g/mol
LogP8.40
Rot. Bonds3

About 2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile

2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 134637241) has the molecular formula C19H8Cl6N2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
PubChem CID134637241
Molecular FormulaC19H8Cl6N2
Molecular Weight477.01 g/mol
Exact Mass473.88
IUPAC Name2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2cc(Cl)cc(Cl)c2Cl)nc(-c2cc(Cl)cc(Cl)c2Cl)c1
InChIInChI=1S/C19H8Cl6N2/c20-10-5-12(18(24)14(22)7-10)16-3-9(1-2-26)4-17(27-16)13-6-11(21)8-15(23)19(13)25/h3-8H,1H2
InChIKeyNZAZIRLQNMZKMO-UHFFFAOYSA-N
XLogP8.40
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[2,6-bis(3,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637823
2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134637614
2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637455
2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 118847553
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430
2-(3,5-dichloro-4-iodophenyl)acetonitrile
CID 134125339
2-[4-fluoro-3-(2,3,4,5,6-pentachlorophenyl)phenyl]acetonitrile
CID 134631147
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618255
2-(2-chloro-6-pyridin-4-yl-4-pyridinyl)acetonitrile
CID 119025199

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile (CID 134637241) is 2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile is N#CCc1cc(-c2cc(Cl)cc(Cl)c2Cl)nc(-c2cc(Cl)cc(Cl)c2Cl)c1.
What is the InChIKey of 2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is NZAZIRLQNMZKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8Cl6N2/c20-10-5-12(18(24)14(22)7-10)16-3-9(1-2-26)4-17(27-16)13-6-11(21)8-15(23)19(13)25/h3-8H,1H2.
What are the key properties of 2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile has a molecular weight of 477.01 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 134637241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).