3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine

C11H11ClN2S — CID 62057687

IUPAC3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
SMILESCc1ccc(CNc2ncccc2Cl)s1
InChIInChI=1S/C11H11ClN2S/c1-8-4-5-9(15-8)7-14-11-10(12)3-2-6-13-11/h2-6H,7H2,1H3,(H,13,14)
InChIKeyXENIDPHLHJHFOZ-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.72
Rot. Bonds3

About 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine

3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine (PubChem CID 62057687) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
PubChem CID62057687
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
SMILESCc1ccc(CNc2ncccc2Cl)s1
InChIInChI=1S/C11H11ClN2S/c1-8-4-5-9(15-8)7-14-11-10(12)3-2-6-13-11/h2-6H,7H2,1H3,(H,13,14)
InChIKeyXENIDPHLHJHFOZ-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine (CID 62057687) is 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine is Cc1ccc(CNc2ncccc2Cl)s1.
What is the InChIKey of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine?
The InChIKey is XENIDPHLHJHFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-8-4-5-9(15-8)7-14-11-10(12)3-2-6-13-11/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine?
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine has a molecular weight of 238.74 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62057687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).