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

C19H10Cl4N2 — CID 133094384

IUPAC2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(-c2cc(Cl)cc(Cl)c2)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H10Cl4N2/c20-14-5-12(6-15(21)9-14)18-11(1-3-24)2-4-25-19(18)13-7-16(22)10-17(23)8-13/h2,4-10H,1H2
InChIKeyBRPRFVWLNBZQSQ-UHFFFAOYSA-N
MW408.12 g/mol
LogP7.10
Rot. Bonds3

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

2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 133094384) has the molecular formula C19H10Cl4N2 and a molecular weight of 408.12 g/mol. Its IUPAC name is 2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
PubChem CID133094384
Molecular FormulaC19H10Cl4N2
Molecular Weight408.12 g/mol
Exact Mass405.96
IUPAC Name2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(-c2cc(Cl)cc(Cl)c2)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H10Cl4N2/c20-14-5-12(6-15(21)9-14)18-11(1-3-24)2-4-25-19(18)13-7-16(22)10-17(23)8-13/h2,4-10H,1H2
InChIKeyBRPRFVWLNBZQSQ-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-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 119014344
2-[2-[3-chloro-5-[hydroxy(oxido)amino]phenyl]-3-methyl-4-pyridinyl]acetonitrile
CID 163904822
2-[3-amino-2-(3,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134624002
2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
CID 119012419
2-(7-chloroquinolin-4-yl)acetonitrile
CID 63203863
2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094441
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930
2-(6-chloroquinolin-4-yl)acetonitrile
CID 84777023
2-[5-amino-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094439
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118802502

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile (CID 133094384) is 2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile is N#CCc1ccnc(-c2cc(Cl)cc(Cl)c2)c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is BRPRFVWLNBZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl4N2/c20-14-5-12(6-15(21)9-14)18-11(1-3-24)2-4-25-19(18)13-7-16(22)10-17(23)8-13/h2,4-10H,1H2.
What are the key properties of 2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
2-[2,3-bis(3,5-dichlorophenyl)-4-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-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 133094384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).