3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride

C9H8Cl2N2S — CID 6602973

IUPAC3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride
SMILESCl.Nc1scc(-c2ccncc2)c1Cl
InChIInChI=1S/C9H7ClN2S.ClH/c10-8-7(5-13-9(8)11)6-1-3-12-4-2-6;/h1-5H,11H2;1H
InChIKeyVQOVULQESBAVJF-UHFFFAOYSA-N
MW247.15 g/mol
LogP3.47
Rot. Bonds1

About 3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride

3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride (PubChem CID 6602973) has the molecular formula C9H8Cl2N2S and a molecular weight of 247.15 g/mol. Its IUPAC name is 3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride
PubChem CID6602973
Molecular FormulaC9H8Cl2N2S
Molecular Weight247.15 g/mol
Exact Mass245.98
IUPAC Name3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride
SMILESCl.Nc1scc(-c2ccncc2)c1Cl
InChIInChI=1S/C9H7ClN2S.ClH/c10-8-7(5-13-9(8)11)6-1-3-12-4-2-6;/h1-5H,11H2;1H
InChIKeyVQOVULQESBAVJF-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride?
The IUPAC name of 3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride (CID 6602973) is 3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride.
What is the SMILES notation for 3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride?
The canonical SMILES for 3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride is Cl.Nc1scc(-c2ccncc2)c1Cl.
What is the InChIKey of 3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride?
The InChIKey is VQOVULQESBAVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S.ClH/c10-8-7(5-13-9(8)11)6-1-3-12-4-2-6;/h1-5H,11H2;1H.
What are the key properties of 3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride?
3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride has a molecular weight of 247.15 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-pyridin-4-ylthiophen-2-amine;hydrochloride is sourced from PubChem (CID 6602973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).