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

C11H11ClN2S — CID 75524894

IUPAC3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccsc1)c1ncccc1Cl
InChIInChI=1S/C11H11ClN2S/c1-14(7-9-4-6-15-8-9)11-10(12)3-2-5-13-11/h2-6,8H,7H2,1H3
InChIKeyOOLJDVOUBZQALA-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.43
Rot. Bonds3

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

3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 75524894) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID75524894
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccsc1)c1ncccc1Cl
InChIInChI=1S/C11H11ClN2S/c1-14(7-9-4-6-15-8-9)11-10(12)3-2-5-13-11/h2-6,8H,7H2,1H3
InChIKeyOOLJDVOUBZQALA-UHFFFAOYSA-N
XLogP3.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 75524894) is 3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is CN(Cc1ccsc1)c1ncccc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is OOLJDVOUBZQALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-14(7-9-4-6-15-8-9)11-10(12)3-2-5-13-11/h2-6,8H,7H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 238.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 75524894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).