5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine

C10H9ClN2S — CID 63245983

IUPAC5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESClc1ccc(NCc2ccsc2)nc1
InChIInChI=1S/C10H9ClN2S/c11-9-1-2-10(13-6-9)12-5-8-3-4-14-7-8/h1-4,6-7H,5H2,(H,12,13)
InChIKeyXVULQYFRLPIXNM-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.41
Rot. Bonds3

About 5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine

5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 63245983) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID63245983
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESClc1ccc(NCc2ccsc2)nc1
InChIInChI=1S/C10H9ClN2S/c11-9-1-2-10(13-6-9)12-5-8-3-4-14-7-8/h1-4,6-7H,5H2,(H,12,13)
InChIKeyXVULQYFRLPIXNM-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 63245983) is 5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine is Clc1ccc(NCc2ccsc2)nc1.
What is the InChIKey of 5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is XVULQYFRLPIXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-9-1-2-10(13-6-9)12-5-8-3-4-14-7-8/h1-4,6-7H,5H2,(H,12,13).
What are the key properties of 5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine?
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 224.72 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 63245983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).