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

C19H8Cl6N2 — CID 134635727

IUPAC2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2c(Cl)cc(Cl)cc2Cl)cnc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C19H8Cl6N2/c20-11-4-13(22)17(14(23)5-11)10-3-9(1-2-26)19(27-8-10)18-15(24)6-12(21)7-16(18)25/h3-8H,1H2
InChIKeyFWYDGLMVBDYZDQ-UHFFFAOYSA-N
MW477.01 g/mol
LogP8.40
Rot. Bonds3

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

2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile (PubChem CID 134635727) has the molecular formula C19H8Cl6N2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
PubChem CID134635727
Molecular FormulaC19H8Cl6N2
Molecular Weight477.01 g/mol
Exact Mass473.88
IUPAC Name2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2c(Cl)cc(Cl)cc2Cl)cnc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C19H8Cl6N2/c20-11-4-13(22)17(14(23)5-11)10-3-9(1-2-26)19(27-8-10)18-15(24)6-12(21)7-16(18)25/h3-8H,1H2
InChIKeyFWYDGLMVBDYZDQ-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

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Related Compounds

2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618494
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618255
2-[2-amino-5-(2,3,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 119022137
2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637848
2-[2-chloro-5-(3,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134619751
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094441
2,3-dichloro-5-(2,4,6-trichlorophenyl)pyridine
CID 118815218
2-[3,5-dichloro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637455
2-(2,5-dichloro-4-pyridinyl)acetonitrile
CID 84770229
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 133094539

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile (CID 134635727) is 2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile is N#CCc1cc(-c2c(Cl)cc(Cl)cc2Cl)cnc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
The InChIKey is FWYDGLMVBDYZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8Cl6N2/c20-11-4-13(22)17(14(23)5-11)10-3-9(1-2-26)19(27-8-10)18-15(24)6-12(21)7-16(18)25/h3-8H,1H2.
What are the key properties of 2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
2-[2,5-bis(2,4,6-trichlorophenyl)-3-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-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134635727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).