5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C15H11ClN2O4 — CID 117255208

IUPAC5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(COc2cccc(O)c2)n2c(Cl)cccc12
InChIInChI=1S/C15H11ClN2O4/c16-12-6-2-5-11-14(15(20)21)17-13(18(11)12)8-22-10-4-1-3-9(19)7-10/h1-7,19H,8H2,(H,20,21)
InChIKeyMRTGVDNSUWTBEY-UHFFFAOYSA-N
MW318.72 g/mol
LogP2.97
Rot. Bonds4

About 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255208) has the molecular formula C15H11ClN2O4 and a molecular weight of 318.72 g/mol. Its IUPAC name is 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255208
Molecular FormulaC15H11ClN2O4
Molecular Weight318.72 g/mol
Exact Mass318.04
IUPAC Name5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(COc2cccc(O)c2)n2c(Cl)cccc12
InChIInChI=1S/C15H11ClN2O4/c16-12-6-2-5-11-14(15(20)21)17-13(18(11)12)8-22-10-4-1-3-9(19)7-10/h1-7,19H,8H2,(H,20,21)
InChIKeyMRTGVDNSUWTBEY-UHFFFAOYSA-N
XLogP2.97
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-hydroxyphenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255250
5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252747
8-hydroxy-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255569
3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255244
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255504
5-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252965
5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253038
7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255515
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453
2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117256445
4-[(3-hydroxyphenoxy)methyl]-1-methylimidazole-2-carboxylic acid
CID 117191697

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255208) is 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(COc2cccc(O)c2)n2c(Cl)cccc12.
What is the InChIKey of 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is MRTGVDNSUWTBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4/c16-12-6-2-5-11-14(15(20)21)17-13(18(11)12)8-22-10-4-1-3-9(19)7-10/h1-7,19H,8H2,(H,20,21).
What are the key properties of 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 318.72 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).