5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine

C12H11ClN2S — CID 62646506

IUPAC5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine
SMILESNc1ccc(CSc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H11ClN2S/c13-10-2-1-3-11(6-10)16-8-9-4-5-12(14)15-7-9/h1-7H,8H2,(H2,14,15)
InChIKeyBVPSMHBDBSPJMS-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.61
Rot. Bonds3

About 5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine

5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62646506) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine
PubChem CID62646506
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine
SMILESNc1ccc(CSc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H11ClN2S/c13-10-2-1-3-11(6-10)16-8-9-4-5-12(14)15-7-9/h1-7H,8H2,(H2,14,15)
InChIKeyBVPSMHBDBSPJMS-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine (CID 62646506) is 5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine is Nc1ccc(CSc2cccc(Cl)c2)cn1.
What is the InChIKey of 5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is BVPSMHBDBSPJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c13-10-2-1-3-11(6-10)16-8-9-4-5-12(14)15-7-9/h1-7H,8H2,(H2,14,15).
What are the key properties of 5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine?
5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 250.75 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62646506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).