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

C19H10Cl4N2 — CID 133094362

IUPAC2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H10Cl4N2/c20-14-4-1-12(9-16(14)22)18-6-3-11(7-8-24)19(25-18)13-2-5-15(21)17(23)10-13/h1-6,9-10H,7H2
InChIKeyHNEYEBSMAOMQTE-UHFFFAOYSA-N
MW408.12 g/mol
LogP7.10
Rot. Bonds3

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

2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile (PubChem CID 133094362) has the molecular formula C19H10Cl4N2 and a molecular weight of 408.12 g/mol. Its IUPAC name is 2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
PubChem CID133094362
Molecular FormulaC19H10Cl4N2
Molecular Weight408.12 g/mol
Exact Mass405.96
IUPAC Name2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H10Cl4N2/c20-14-4-1-12(9-16(14)22)18-6-3-11(7-8-24)19(25-18)13-2-5-15(21)17(23)10-13/h1-6,9-10H,7H2
InChIKeyHNEYEBSMAOMQTE-UHFFFAOYSA-N
XLogP7.10
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.12
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618255
2-[4-(3,4-dichlorophenyl)pyrimidin-2-yl]acetonitrile
CID 116901038
2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 119014344
2-[2,6-bis[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134618326
2-[5-amino-6-(3,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094408
2-[5-(3,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133092843
2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 133094368
2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094378
2,6-bis(3,4-dichlorophenyl)-3-nitropyridine
CID 133087521
2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82519123
2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile
CID 175670145
6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 55045417

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile (CID 133094362) is 2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile is N#CCc1ccc(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
The InChIKey is HNEYEBSMAOMQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl4N2/c20-14-4-1-12(9-16(14)22)18-6-3-11(7-8-24)19(25-18)13-2-5-15(21)17(23)10-13/h1-6,9-10H,7H2.
What are the key properties of 2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile has a molecular weight of 408.12 g/mol, XLogP of 7.10, 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(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133094362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).