2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

C14H10ClN3O2S — CID 4091566

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H10ClN3O2S/c15-9-3-4-12-17-10(7-18(12)6-9)8-21-13-11(14(19)20)2-1-5-16-13/h1-7H,8H2,(H,19,20)
InChIKeyCAYBDLUSMMWAFS-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.37
Rot. Bonds4

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid (PubChem CID 4091566) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
PubChem CID4091566
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H10ClN3O2S/c15-9-3-4-12-17-10(7-18(12)6-9)8-21-13-11(14(19)20)2-1-5-16-13/h1-7H,8H2,(H,19,20)
InChIKeyCAYBDLUSMMWAFS-UHFFFAOYSA-N
XLogP3.37
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(Methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 1482206
2-[(6-Chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
CID 4319031
2-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 3508614
2-[(5,7-Dimethyl-4-hydroimidazo[1,2-a]pyrimidin-2-yl)methylthio]pyridine-3-car boxylic acid
CID 3000168
2-[(6-Bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4225516
Methyl 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51360032
Methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299502
2-Methylimidazo(1,2-a)pyridine-6-carboxylic acid
CID 20072829
6-Chloro-2-methylimidazo(1,2-a)pyridine-8-carboxylic acid
CID 83485964
3-Methylimidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
CID 145874257
2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid
CID 8006541
8-Chloro-5-(3-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 66992776

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid (CID 4091566) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1SCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The InChIKey is CAYBDLUSMMWAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-9-3-4-12-17-10(7-18(12)6-9)8-21-13-11(14(19)20)2-1-5-16-13/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid has a molecular weight of 319.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 4091566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).