2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid

C12H11NO2S — CID 53445506

IUPAC2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid
SMILESCCc1csc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C12H11NO2S/c1-2-8-5-11(16-7-8)10-6-9(12(14)15)3-4-13-10/h3-7H,2H2,1H3,(H,14,15)
InChIKeyNVTCGMYPHPSXOW-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid

2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid (PubChem CID 53445506) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid
PubChem CID53445506
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid
SMILESCCc1csc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C12H11NO2S/c1-2-8-5-11(16-7-8)10-6-9(12(14)15)3-4-13-10/h3-7H,2H2,1H3,(H,14,15)
InChIKeyNVTCGMYPHPSXOW-UHFFFAOYSA-N
XLogP3.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine
CID 160626677
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119711
4-(4-ethylthiophen-2-yl)-2-fluorobenzoic acid
CID 53445707
2-(4-heptoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158719684
2-(4-hexoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158415577
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid
CID 53445519
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 70895468
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid (CID 53445506) is 2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid is CCc1csc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid?
The InChIKey is NVTCGMYPHPSXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-8-5-11(16-7-8)10-6-9(12(14)15)3-4-13-10/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid?
2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53445506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).