2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid

C14H13NO2S — CID 116533656

IUPAC2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(C3CC3)n2)s1
InChIInChI=1S/C14H13NO2S/c1-8-2-7-12(18-8)11-6-5-10(14(16)17)13(15-11)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,16,17)
InChIKeyVTWASJVWCMXNJP-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.69
Rot. Bonds3

About 2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid

2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid (PubChem CID 116533656) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
PubChem CID116533656
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(C3CC3)n2)s1
InChIInChI=1S/C14H13NO2S/c1-8-2-7-12(18-8)11-6-5-10(14(16)17)13(15-11)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,16,17)
InChIKeyVTWASJVWCMXNJP-UHFFFAOYSA-N
XLogP3.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid
CID 174864646
2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 134696023
6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 134714748
2-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 97148782
6-(5-methylthiophen-2-yl)-2-[(5-oxo-1-propylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 134712239
2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 4001748
6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533494
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310
4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid
CID 105440602
6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533474
6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533409
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid
CID 82124982

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid (CID 116533656) is 2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)c(C3CC3)n2)s1.
What is the InChIKey of 2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid?
The InChIKey is VTWASJVWCMXNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-8-2-7-12(18-8)11-6-5-10(14(16)17)13(15-11)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid?
2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid has a molecular weight of 259.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 116533656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).