5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid

C10H6ClNO2S — CID 107360441

IUPAC5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2sccc2Cl)c1
InChIInChI=1S/C10H6ClNO2S/c11-8-1-2-15-9(8)6-3-7(10(13)14)5-12-4-6/h1-5H,(H,13,14)
InChIKeyYGCXXAZCYTYVGD-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.16
Rot. Bonds2

About 5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid

5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid (PubChem CID 107360441) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid
PubChem CID107360441
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2sccc2Cl)c1
InChIInChI=1S/C10H6ClNO2S/c11-8-1-2-15-9(8)6-3-7(10(13)14)5-12-4-6/h1-5H,(H,13,14)
InChIKeyYGCXXAZCYTYVGD-UHFFFAOYSA-N
XLogP3.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 53445774
5-(2-methylthiophen-3-yl)pyridine-3-carboxylic acid
CID 53445769
2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 83308160
5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
CID 113319492
5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid
CID 127018519
3-(3-chlorothiophen-2-yl)-4-fluorobenzoic acid
CID 107957646
4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 80641650
1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone
CID 107360534
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
5-(2-ethylphenyl)pyridine-3-carboxylic acid
CID 56715011

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid (CID 107360441) is 5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2sccc2Cl)c1.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid?
The InChIKey is YGCXXAZCYTYVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-8-1-2-15-9(8)6-3-7(10(13)14)5-12-4-6/h1-5H,(H,13,14).
What are the key properties of 5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid?
5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid has a molecular weight of 239.68 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 107360441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).