2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile

C18H9BrCl2N2S — CID 2765264

IUPAC2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(Br)cc1
InChIInChI=1S/C18H9BrCl2N2S/c19-13-3-5-14(6-4-13)24-18-12(10-22)2-8-17(23-18)11-1-7-15(20)16(21)9-11/h1-9H
InChIKeyYINCKGVZGZNBRC-UHFFFAOYSA-N
MW436.16 g/mol
LogP6.84
Rot. Bonds3

About 2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile

2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 2765264) has the molecular formula C18H9BrCl2N2S and a molecular weight of 436.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID2765264
Molecular FormulaC18H9BrCl2N2S
Molecular Weight436.16 g/mol
Exact Mass433.90
IUPAC Name2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(Br)cc1
InChIInChI=1S/C18H9BrCl2N2S/c19-13-3-5-14(6-4-13)24-18-12(10-22)2-8-17(23-18)11-1-7-15(20)16(21)9-11/h1-9H
InChIKeyYINCKGVZGZNBRC-UHFFFAOYSA-N
XLogP6.84
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.16
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile (CID 2765264) is 2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is YINCKGVZGZNBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrCl2N2S/c19-13-3-5-14(6-4-13)24-18-12(10-22)2-8-17(23-18)11-1-7-15(20)16(21)9-11/h1-9H.
What are the key properties of 2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 436.16 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2765264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).