3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride

C10H8ClNO2S — CID 141009067

IUPAC3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1sccc1-c1ccncc1
InChIInChI=1S/C10H7NO2S.ClH/c12-10(13)9-8(3-6-14-9)7-1-4-11-5-2-7;/h1-6H,(H,12,13);1H
InChIKeyLUGQHFAQQVPXRG-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.93
Rot. Bonds2

About 3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride

3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride (PubChem CID 141009067) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is 3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride
PubChem CID141009067
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Name3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1sccc1-c1ccncc1
InChIInChI=1S/C10H7NO2S.ClH/c12-10(13)9-8(3-6-14-9)7-1-4-11-5-2-7;/h1-6H,(H,12,13);1H
InChIKeyLUGQHFAQQVPXRG-UHFFFAOYSA-N
XLogP2.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride (CID 141009067) is 3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1sccc1-c1ccncc1.
What is the InChIKey of 3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride?
The InChIKey is LUGQHFAQQVPXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S.ClH/c12-10(13)9-8(3-6-14-9)7-1-4-11-5-2-7;/h1-6H,(H,12,13);1H.
What are the key properties of 3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride?
3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride has a molecular weight of 241.70 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 141009067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).