3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid

C12H10ClNO3S — CID 79156847

IUPAC3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(OCc2ccc(Cl)s2)c(C(=O)O)n1
InChIInChI=1S/C12H10ClNO3S/c1-7-2-4-9(11(14-7)12(15)16)17-6-8-3-5-10(13)18-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyORCBJMSQCKIMMM-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.38
Rot. Bonds4

About 3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid

3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid (PubChem CID 79156847) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
PubChem CID79156847
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(OCc2ccc(Cl)s2)c(C(=O)O)n1
InChIInChI=1S/C12H10ClNO3S/c1-7-2-4-9(11(14-7)12(15)16)17-6-8-3-5-10(13)18-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyORCBJMSQCKIMMM-UHFFFAOYSA-N
XLogP3.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79158007
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79158538
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
CID 79157043
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid
CID 60673887
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
ethyl 4-[(5-chlorothiophen-2-yl)methoxy]-1-phenylpyrazole-3-carboxylate
CID 55868050
6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
CID 102939706
6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid
CID 112589611
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
CID 79158533
3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79156646

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid (CID 79156847) is 3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid is Cc1ccc(OCc2ccc(Cl)s2)c(C(=O)O)n1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid?
The InChIKey is ORCBJMSQCKIMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-7-2-4-9(11(14-7)12(15)16)17-6-8-3-5-10(13)18-8/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid?
3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid has a molecular weight of 283.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 79156847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).