2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate

C15H10ClN2O3- — CID 58043076

IUPAC2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESO=C([O-])c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1
InChIInChI=1S/C15H11ClN2O3/c16-11-4-1-9(2-5-11)14-12(8-19)18-7-10(15(20)21)3-6-13(18)17-14/h1-7,19H,8H2,(H,20,21)/p-1
InChIKeyOYUSFTJWDUCBTE-UHFFFAOYSA-M
MW301.71 g/mol
LogP1.51
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate

2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 58043076) has the molecular formula C15H10ClN2O3- and a molecular weight of 301.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID58043076
Molecular FormulaC15H10ClN2O3-
Molecular Weight301.71 g/mol
Exact Mass301.04
IUPAC Name2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESO=C([O-])c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1
InChIInChI=1S/C15H11ClN2O3/c16-11-4-1-9(2-5-11)14-12(8-19)18-7-10(15(20)21)3-6-13(18)17-14/h1-7,19H,8H2,(H,20,21)/p-1
InChIKeyOYUSFTJWDUCBTE-UHFFFAOYSA-M
XLogP1.51
TPSA77.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.71
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 39132848
[6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;N-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]acetamide
CID 67122989
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 162000002
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 143657498
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one
CID 157343544
methyl 2-amino-3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884086
2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 131993555
3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195767
[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 67123064

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 58043076) is 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate is O=C([O-])c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is OYUSFTJWDUCBTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11ClN2O3/c16-11-4-1-9(2-5-11)14-12(8-19)18-7-10(15(20)21)3-6-13(18)17-14/h1-7,19H,8H2,(H,20,21)/p-1.
What are the key properties of 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate?
2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 301.71 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 58043076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).