2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid

C12H14N2O3S — CID 55259386

IUPAC2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCOCCCSc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C12H14N2O3S/c1-17-7-4-8-18-11-10(12(15)16)14-6-3-2-5-9(14)13-11/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)
InChIKeyUVFAFGJGQUKSAW-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.16
Rot. Bonds6

About 2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 55259386) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID55259386
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCOCCCSc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C12H14N2O3S/c1-17-7-4-8-18-11-10(12(15)16)14-6-3-2-5-9(14)13-11/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)
InChIKeyUVFAFGJGQUKSAW-UHFFFAOYSA-N
XLogP2.16
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 55259386) is 2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid is COCCCSc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is UVFAFGJGQUKSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-17-7-4-8-18-11-10(12(15)16)14-6-3-2-5-9(14)13-11/h2-3,5-6H,4,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 55259386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).