5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile

C12H7Cl2N3S — CID 103470786

IUPAC5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cnc(Sc2cc(Cl)ccc2Cl)c(N)c1
InChIInChI=1S/C12H7Cl2N3S/c13-8-1-2-9(14)11(4-8)18-12-10(16)3-7(5-15)6-17-12/h1-4,6H,16H2
InChIKeyZMGLDNFIDOWEEQ-UHFFFAOYSA-N
MW296.18 g/mol
LogP3.99
Rot. Bonds2

About 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile

5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile (PubChem CID 103470786) has the molecular formula C12H7Cl2N3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile
PubChem CID103470786
Molecular FormulaC12H7Cl2N3S
Molecular Weight296.18 g/mol
Exact Mass294.97
IUPAC Name5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cnc(Sc2cc(Cl)ccc2Cl)c(N)c1
InChIInChI=1S/C12H7Cl2N3S/c13-8-1-2-9(14)11(4-8)18-12-10(16)3-7(5-15)6-17-12/h1-4,6H,16H2
InChIKeyZMGLDNFIDOWEEQ-UHFFFAOYSA-N
XLogP3.99
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470794
4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzonitrile
CID 43657535
5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine
CID 80884851
5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134637003
5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile
CID 103470800
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile
CID 107748198
6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 79176848
3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine
CID 103079526
5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
CID 103468593
5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469705
2-(2,5-dichlorophenyl)sulfanylbenzonitrile
CID 29273025

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile (CID 103470786) is 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile is N#Cc1cnc(Sc2cc(Cl)ccc2Cl)c(N)c1.
What is the InChIKey of 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is ZMGLDNFIDOWEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3S/c13-8-1-2-9(14)11(4-8)18-12-10(16)3-7(5-15)6-17-12/h1-4,6H,16H2.
What are the key properties of 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile?
5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 296.18 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 103470786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).