3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid

C16H13ClN2O3 — CID 117255676

IUPAC3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1cccn2c(COc3ccc(Cl)cc3)nc(C(=O)O)c12
InChIInChI=1S/C16H13ClN2O3/c1-10-3-2-8-19-13(18-14(15(10)19)16(20)21)9-22-12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)
InChIKeyDSMKIFVEPXWXBV-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.57
Rot. Bonds4

About 3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid

3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255676) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255676
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1cccn2c(COc3ccc(Cl)cc3)nc(C(=O)O)c12
InChIInChI=1S/C16H13ClN2O3/c1-10-3-2-8-19-13(18-14(15(10)19)16(20)21)9-22-12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)
InChIKeyDSMKIFVEPXWXBV-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

8-methyl-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255669
2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 94968829
8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255555
3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254561
8-hydroxy-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255569
1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine
CID 84744964
8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582
8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896
8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255640
3-[(4-fluorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246965
methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255676) is 3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1cccn2c(COc3ccc(Cl)cc3)nc(C(=O)O)c12.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is DSMKIFVEPXWXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-10-3-2-8-19-13(18-14(15(10)19)16(20)21)9-22-12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-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 3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).