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

C19H8Cl6N2 — CID 134618255

IUPAC2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C19H8Cl6N2/c20-10-5-12(22)17(13(23)6-10)16-2-1-9(3-4-26)19(27-16)18-14(24)7-11(21)8-15(18)25/h1-2,5-8H,3H2
InChIKeyMGGKLTNGWXAJNQ-UHFFFAOYSA-N
MW477.01 g/mol
LogP8.40
Rot. Bonds3

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

2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile (PubChem CID 134618255) has the molecular formula C19H8Cl6N2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
PubChem CID134618255
Molecular FormulaC19H8Cl6N2
Molecular Weight477.01 g/mol
Exact Mass473.88
IUPAC Name2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C19H8Cl6N2/c20-10-5-12(22)17(13(23)6-10)16-2-1-9(3-4-26)19(27-16)18-14(24)7-11(21)8-15(18)25/h1-2,5-8H,3H2
InChIKeyMGGKLTNGWXAJNQ-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-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134636914
2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094362
2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 119014344
2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134635727
2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 118847553
2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134635943
6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile
CID 134636792
2-(2-chloro-4-formylphenyl)acetonitrile
CID 164915291
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618494
2-[2-oxo-3-(2,4,6-trichlorophenyl)-1H-pyridin-4-yl]acetonitrile
CID 133092382
2-[2,6-bis[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134618326

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile (CID 134618255) is 2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile is N#CCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
The InChIKey is MGGKLTNGWXAJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8Cl6N2/c20-10-5-12(22)17(13(23)6-10)16-2-1-9(3-4-26)19(27-16)18-14(24)7-11(21)8-15(18)25/h1-2,5-8H,3H2.
What are the key properties of 2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile?
2-[2,6-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-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134618255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).