2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid

C15H11ClN2O3 — CID 117256740

IUPAC2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2cc(COc3ccccc3Cl)nc12
InChIInChI=1S/C15H11ClN2O3/c16-12-5-1-2-6-13(12)21-9-10-8-18-7-3-4-11(15(19)20)14(18)17-10/h1-8H,9H2,(H,19,20)
InChIKeyQIYJKAGEDYRBMJ-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.26
Rot. Bonds4

About 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid

2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 117256740) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID117256740
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2cc(COc3ccccc3Cl)nc12
InChIInChI=1S/C15H11ClN2O3/c16-12-5-1-2-6-13(12)21-9-10-8-18-7-3-4-11(15(19)20)14(18)17-10/h1-8H,9H2,(H,19,20)
InChIKeyQIYJKAGEDYRBMJ-UHFFFAOYSA-N
XLogP3.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742
1-[2-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82529670
2-ethylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 67360702
3-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzoic acid
CID 82529675
2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 146401798
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid
CID 82810212
N-ethyl-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134005773
[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
CID 24682976
N-(2-chloro-4-fluorophenyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24617117
[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169426
1-[4-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82529673
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42939373

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 117256740) is 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2cc(COc3ccccc3Cl)nc12.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is QIYJKAGEDYRBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-5-1-2-6-13(12)21-9-10-8-18-7-3-4-11(15(19)20)14(18)17-10/h1-8H,9H2,(H,19,20).
What are the key properties of 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117256740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).