3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid

C16H13ClN2O3 — CID 117246957

IUPAC3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccn2c(COc3cccc(Cl)c3)nc(C(=O)O)c2c1
InChIInChI=1S/C16H13ClN2O3/c1-10-5-6-19-13(7-10)15(16(20)21)18-14(19)9-22-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,20,21)
InChIKeyKYBACUBFYSOAES-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.57
Rot. Bonds4

About 3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid

3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117246957) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117246957
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccn2c(COc3cccc(Cl)c3)nc(C(=O)O)c2c1
InChIInChI=1S/C16H13ClN2O3/c1-10-5-6-19-13(7-10)15(16(20)21)18-14(19)9-22-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,20,21)
InChIKeyKYBACUBFYSOAES-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

7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255504
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453
8-methyl-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255669
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922
7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255515
3-[(3-hydroxyphenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255250
5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255208
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255676
3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83840855
1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine
CID 117246974
8-hydroxy-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255569
5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82088303

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117246957) is 3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1ccn2c(COc3cccc(Cl)c3)nc(C(=O)O)c2c1.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is KYBACUBFYSOAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-10-5-6-19-13(7-10)15(16(20)21)18-14(19)9-22-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-[(3-chlorophenoxy)methyl]-7-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-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117246957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).