3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile

C18H8Cl4N2 — CID 133095168

IUPAC3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2cc(Cl)ccc2Cl)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H8Cl4N2/c19-11-1-3-16(21)13(6-11)10-5-15(18(8-23)24-9-10)14-7-12(20)2-4-17(14)22/h1-7,9H
InChIKeyORWXPLOVOXTRGP-UHFFFAOYSA-N
MW394.09 g/mol
LogP6.90
Rot. Bonds2

About 3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile

3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile (PubChem CID 133095168) has the molecular formula C18H8Cl4N2 and a molecular weight of 394.09 g/mol. Its IUPAC name is 3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile
PubChem CID133095168
Molecular FormulaC18H8Cl4N2
Molecular Weight394.09 g/mol
Exact Mass391.94
IUPAC Name3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2cc(Cl)ccc2Cl)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H8Cl4N2/c19-11-1-3-16(21)13(6-11)10-5-15(18(8-23)24-9-10)14-7-12(20)2-4-17(14)22/h1-7,9H
InChIKeyORWXPLOVOXTRGP-UHFFFAOYSA-N
XLogP6.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.09
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094822
3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile
CID 133095162
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 133095931
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 133094539
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134628594
3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134623343
2,5-bis(2,5-dichlorophenyl)pyridin-4-amine
CID 118806618
3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
CID 133095092
2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094547
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
6-(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133096229

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile (CID 133095168) is 3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile is N#Cc1ncc(-c2cc(Cl)ccc2Cl)cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile?
The InChIKey is ORWXPLOVOXTRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl4N2/c19-11-1-3-16(21)13(6-11)10-5-15(18(8-23)24-9-10)14-7-12(20)2-4-17(14)22/h1-7,9H.
What are the key properties of 3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile?
3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile has a molecular weight of 394.09 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 133095168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).