2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C16H13ClN2O3 — CID 94968829

IUPAC2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccn2c(C(=O)O)c(COc3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H13ClN2O3/c1-10-3-2-8-19-14(16(20)21)13(18-15(10)19)9-22-12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)
InChIKeyKJQDGEJQHFXVQL-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.57
Rot. Bonds4

About 2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid

2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 94968829) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID94968829
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccn2c(C(=O)O)c(COc3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H13ClN2O3/c1-10-3-2-8-19-14(16(20)21)13(18-15(10)19)9-22-12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)
InChIKeyKJQDGEJQHFXVQL-UHFFFAOYSA-N
XLogP3.57
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 94968837
2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82225553
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255676
2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 79015469
methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
N,2-diethyl-N,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 123774406
2-[2-[4-(fluoromethoxy)phenoxy]ethylamino]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 90290579
(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 83685848
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 94968829) is 2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cccn2c(C(=O)O)c(COc3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is KJQDGEJQHFXVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-10-3-2-8-19-14(16(20)21)13(18-15(10)19)9-22-12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 316.74 g/mol, XLogP of 3.57, 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]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 94968829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).