5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid

C12H9NO4S — CID 53222973

IUPAC5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(-c2csc(C=O)c2)cc1C(=O)O
InChIInChI=1S/C12H9NO4S/c1-17-11-10(12(15)16)3-7(4-13-11)8-2-9(5-14)18-6-8/h2-6H,1H3,(H,15,16)
InChIKeyOLQHCCGHGKQMLD-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.33
Rot. Bonds4

About 5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid

5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid (PubChem CID 53222973) has the molecular formula C12H9NO4S and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid
PubChem CID53222973
Molecular FormulaC12H9NO4S
Molecular Weight263.27 g/mol
Exact Mass263.03
IUPAC Name5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(-c2csc(C=O)c2)cc1C(=O)O
InChIInChI=1S/C12H9NO4S/c1-17-11-10(12(15)16)3-7(4-13-11)8-2-9(5-14)18-6-8/h2-6H,1H3,(H,15,16)
InChIKeyOLQHCCGHGKQMLD-UHFFFAOYSA-N
XLogP2.33
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
CID 117222132
2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid
CID 53225743
5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223715
5-(2,4-dimethylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53222707
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid
CID 130735023
5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid
CID 167988966
2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224496

Frequently Asked Questions

What is the IUPAC name of 5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid (CID 53222973) is 5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid is COc1ncc(-c2csc(C=O)c2)cc1C(=O)O.
What is the InChIKey of 5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid?
The InChIKey is OLQHCCGHGKQMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4S/c1-17-11-10(12(15)16)3-7(4-13-11)8-2-9(5-14)18-6-8/h2-6H,1H3,(H,15,16).
What are the key properties of 5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid?
5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 53222973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).