3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide

C12H8BrClN2OS — CID 172625639

IUPAC3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide
SMILESNC(=O)c1ncc(Cl)cc1Sc1ccc(Br)cc1
InChIInChI=1S/C12H8BrClN2OS/c13-7-1-3-9(4-2-7)18-10-5-8(14)6-16-11(10)12(15)17/h1-6H,(H2,15,17)
InChIKeyJKEVJZVNYQXTIR-UHFFFAOYSA-N
MW343.63 g/mol
LogP3.75
Rot. Bonds3

About 3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide

3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide (PubChem CID 172625639) has the molecular formula C12H8BrClN2OS and a molecular weight of 343.63 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide
PubChem CID172625639
Molecular FormulaC12H8BrClN2OS
Molecular Weight343.63 g/mol
Exact Mass341.92
IUPAC Name3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide
SMILESNC(=O)c1ncc(Cl)cc1Sc1ccc(Br)cc1
InChIInChI=1S/C12H8BrClN2OS/c13-7-1-3-9(4-2-7)18-10-5-8(14)6-16-11(10)12(15)17/h1-6H,(H2,15,17)
InChIKeyJKEVJZVNYQXTIR-UHFFFAOYSA-N
XLogP3.75
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-phenylsulfanylpyridine-2-carboxamide
CID 172625577
5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide
CID 172625620
5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine
CID 87286110
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol
CID 66056077
4-(4-bromophenyl)sulfanyl-3-nitrobenzamide
CID 9283449
5-(5-chloro-2-pyridinyl)pyrazine-2,3-dicarboxamide
CID 69352567
4-(4-bromophenyl)sulfanyl-3-chloroaniline
CID 43345337
5-chloro-3-morpholin-4-ylpyridine-2-carboxamide
CID 166656624
4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene
CID 91876660
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 29219410
methyl 4-(4-bromophenyl)sulfanyl-3-chlorobenzoate
CID 91877512
3-amino-4-(4-bromophenyl)sulfanyl-N-methylbenzamide
CID 78984501

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide (CID 172625639) is 3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide is NC(=O)c1ncc(Cl)cc1Sc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide?
The InChIKey is JKEVJZVNYQXTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2OS/c13-7-1-3-9(4-2-7)18-10-5-8(14)6-16-11(10)12(15)17/h1-6H,(H2,15,17).
What are the key properties of 3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide?
3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide has a molecular weight of 343.63 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 172625639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).