6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid

C13H13NO3S — CID 62702609

IUPAC6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(OCCc2cccs2)n1
InChIInChI=1S/C13H13NO3S/c1-9-4-5-11(13(15)16)12(14-9)17-7-6-10-3-2-8-18-10/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyUVMAHEPFMORUOY-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.77
Rot. Bonds5

About 6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid

6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid (PubChem CID 62702609) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid
PubChem CID62702609
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(OCCc2cccs2)n1
InChIInChI=1S/C13H13NO3S/c1-9-4-5-11(13(15)16)12(14-9)17-7-6-10-3-2-8-18-10/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyUVMAHEPFMORUOY-UHFFFAOYSA-N
XLogP2.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-propoxypyridine-3-carboxylic acid
CID 62702426
5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
CID 55220019
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
CID 63774713
2-methyl-3-(thiophen-2-ylmethoxy)benzoic acid
CID 82826727
2-[(4-bromophenyl)methoxy]-6-methylpyridine-3-carboxylic acid
CID 82825592
1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
CID 63774355
4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid
CID 91905880
2-(chloromethyl)-6-(2-thiophen-2-ylethyl)pyridine-3-carboxylic acid
CID 174794822
2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
CID 80712277
4-[(2-thiophen-2-ylethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103235532

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid (CID 62702609) is 6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(OCCc2cccs2)n1.
What is the InChIKey of 6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid?
The InChIKey is UVMAHEPFMORUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9-4-5-11(13(15)16)12(14-9)17-7-6-10-3-2-8-18-10/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid?
6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 62702609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).