3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine

C11H10ClN3S — CID 110174669

IUPAC3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine
SMILESNc1ccccc1Sc1cc(Cl)cnc1N
InChIInChI=1S/C11H10ClN3S/c12-7-5-10(11(14)15-6-7)16-9-4-2-1-3-8(9)13/h1-6H,13H2,(H2,14,15)
InChIKeyRQQDHBFSNSQFJY-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.05
Rot. Bonds2

About 3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine

3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine (PubChem CID 110174669) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine
PubChem CID110174669
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine
SMILESNc1ccccc1Sc1cc(Cl)cnc1N
InChIInChI=1S/C11H10ClN3S/c12-7-5-10(11(14)15-6-7)16-9-4-2-1-3-8(9)13/h1-6H,13H2,(H2,14,15)
InChIKeyRQQDHBFSNSQFJY-UHFFFAOYSA-N
XLogP3.05
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)sulfanyl-4-chlorobenzonitrile
CID 63082288
5-chloro-2-phenylpyridin-3-amine
CID 46311799
4-chloro-2-(2-methylphenyl)sulfanylaniline
CID 115469527
2-(2-bromophenyl)sulfanyl-4-chloroaniline
CID 115469523
2-(2-aminophenyl)sulfanyl-5-chlorobenzoic acid
CID 1201728
5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine
CID 105199320
2-(6-methylpyrimidin-4-yl)sulfanylaniline
CID 61370625
2-amino-5-chloropyridine-3-thiol
CID 86157651
2-(2-aminophenyl)sulfanylbenzene-1,4-diol
CID 154102561
5-chloro-3-N-methylpyridine-2,3-diamine
CID 119081728
5-chloro-3-phenylsulfanylpyridine-2-carboxamide
CID 172625577
2-(2,5-dimethylpyrazol-3-yl)sulfanylaniline
CID 62409911

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine?
The IUPAC name of 3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine (CID 110174669) is 3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine.
What is the SMILES notation for 3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine?
The canonical SMILES for 3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine is Nc1ccccc1Sc1cc(Cl)cnc1N.
What is the InChIKey of 3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine?
The InChIKey is RQQDHBFSNSQFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c12-7-5-10(11(14)15-6-7)16-9-4-2-1-3-8(9)13/h1-6H,13H2,(H2,14,15).
What are the key properties of 3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine?
3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine has a molecular weight of 251.74 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine is sourced from PubChem (CID 110174669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).