3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid

C16H13ClN2O3 — CID 117255244

IUPAC3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1cccc2c(C(=O)O)nc(COc3ccccc3Cl)n12
InChIInChI=1S/C16H13ClN2O3/c1-10-5-4-7-12-15(16(20)21)18-14(19(10)12)9-22-13-8-3-2-6-11(13)17/h2-8H,9H2,1H3,(H,20,21)
InChIKeyWXFNBHQDZSOJBK-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.57
Rot. Bonds4

About 3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid

3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255244) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255244
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1cccc2c(C(=O)O)nc(COc3ccccc3Cl)n12
InChIInChI=1S/C16H13ClN2O3/c1-10-5-4-7-12-15(16(20)21)18-14(19(10)12)9-22-13-8-3-2-6-11(13)17/h2-8H,9H2,1H3,(H,20,21)
InChIKeyWXFNBHQDZSOJBK-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

5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255208
3-(2-methoxyphenyl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250797
2-[(2-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187272
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257654
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031896
5-methyl-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252973
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618765
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
3-ethyl-N,N,5-trimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 112552234

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255244) is 3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1cccc2c(C(=O)O)nc(COc3ccccc3Cl)n12.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is WXFNBHQDZSOJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-10-5-4-7-12-15(16(20)21)18-14(19(10)12)9-22-13-8-3-2-6-11(13)17/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-[(2-chlorophenoxy)methyl]-5-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-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).