2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C15H11ClN2O3 — CID 82225553

IUPAC2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(COc2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C15H11ClN2O3/c16-10-4-6-11(7-5-10)21-9-12-14(15(19)20)18-8-2-1-3-13(18)17-12/h1-8H,9H2,(H,19,20)
InChIKeyROVNJRVXLCWVQO-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.26
Rot. Bonds4

About 2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82225553) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82225553
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(COc2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C15H11ClN2O3/c16-10-4-6-11(7-5-10)21-9-12-14(15(19)20)18-8-2-1-3-13(18)17-12/h1-8H,9H2,(H,19,20)
InChIKeyROVNJRVXLCWVQO-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

2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 94968829
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61360290
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46982336
N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide
CID 78887272
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255676
2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257671
2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide
CID 7888739
[3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine
CID 84760117
3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one
CID 24996911
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63538999

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 82225553) is 2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(COc2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is ROVNJRVXLCWVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-10-4-6-11(7-5-10)21-9-12-14(15(19)20)18-8-2-1-3-13(18)17-12/h1-8H,9H2,(H,19,20).
What are the key properties of 2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-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-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82225553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).