2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

C13H10N2O2S — CID 63992104

IUPAC2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccsc1-c1cn2cc(C(=O)O)ccc2n1
InChIInChI=1S/C13H10N2O2S/c1-8-4-5-18-12(8)10-7-15-6-9(13(16)17)2-3-11(15)14-10/h2-7H,1H3,(H,16,17)
InChIKeyWYEYUTDNRKWKEL-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.07
Rot. Bonds2

About 2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 63992104) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID63992104
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccsc1-c1cn2cc(C(=O)O)ccc2n1
InChIInChI=1S/C13H10N2O2S/c1-8-4-5-18-12(8)10-7-15-6-9(13(16)17)2-3-11(15)14-10/h2-7H,1H3,(H,16,17)
InChIKeyWYEYUTDNRKWKEL-UHFFFAOYSA-N
XLogP3.07
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 63992104) is 2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1ccsc1-c1cn2cc(C(=O)O)ccc2n1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is WYEYUTDNRKWKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-4-5-18-12(8)10-7-15-6-9(13(16)17)2-3-11(15)14-10/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 63992104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).