3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid

C15H11ClN2O3 — CID 117256587

IUPAC3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(COc3ccccc3Cl)cnc2c1
InChIInChI=1S/C15H11ClN2O3/c16-12-3-1-2-4-13(12)21-9-11-8-17-14-7-10(15(19)20)5-6-18(11)14/h1-8H,9H2,(H,19,20)
InChIKeyVMAKOXDLLFJKAJ-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.26
Rot. Bonds4

About 3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid

3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 117256587) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID117256587
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(COc3ccccc3Cl)cnc2c1
InChIInChI=1S/C15H11ClN2O3/c16-12-3-1-2-4-13(12)21-9-11-8-17-14-7-10(15(19)20)5-6-18(11)14/h1-8H,9H2,(H,19,20)
InChIKeyVMAKOXDLLFJKAJ-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

7-chloro-3-[(2-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256505
2-[(2-chlorophenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117180404
3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117145233
3-(phenylmethoxycarbonylamino)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 165478092
2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid
CID 117187269
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
4-[2-(2-chlorophenoxy)ethoxy]-3-methylbenzoic acid
CID 107673991
2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256740
3-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255900
5-[(2-chlorophenoxy)methyl]-1-ethylpyrazole-4-carboxylic acid
CID 117217942
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 117256587) is 3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(COc3ccccc3Cl)cnc2c1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is VMAKOXDLLFJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-3-1-2-4-13(12)21-9-11-8-17-14-7-10(15(19)20)5-6-18(11)14/h1-8H,9H2,(H,19,20).
What are the key properties of 3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-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 3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117256587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).