3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine

C12H11ClN2S — CID 154599960

IUPAC3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine
SMILESCSc1ccc(Cl)cc1-c1cnccc1N
InChIInChI=1S/C12H11ClN2S/c1-16-12-3-2-8(13)6-9(12)10-7-15-5-4-11(10)14/h2-7H,1H3,(H2,14,15)
InChIKeyPQRQKNGKVZDRMY-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.71
Rot. Bonds2

About 3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine

3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine (PubChem CID 154599960) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine
PubChem CID154599960
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine
SMILESCSc1ccc(Cl)cc1-c1cnccc1N
InChIInChI=1S/C12H11ClN2S/c1-16-12-3-2-8(13)6-9(12)10-7-15-5-4-11(10)14/h2-7H,1H3,(H2,14,15)
InChIKeyPQRQKNGKVZDRMY-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine?
The IUPAC name of 3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine (CID 154599960) is 3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine.
What is the SMILES notation for 3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine?
The canonical SMILES for 3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine is CSc1ccc(Cl)cc1-c1cnccc1N.
What is the InChIKey of 3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine?
The InChIKey is PQRQKNGKVZDRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c1-16-12-3-2-8(13)6-9(12)10-7-15-5-4-11(10)14/h2-7H,1H3,(H2,14,15).
What are the key properties of 3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine?
3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine has a molecular weight of 250.75 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylsulfanylphenyl)pyridin-4-amine is sourced from PubChem (CID 154599960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).