methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate

C16H14N2O3 — CID 117142779

IUPACmethyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(Cc3ccccc3O)n12
InChIInChI=1S/C16H14N2O3/c1-21-16(20)13-7-4-6-12-10-17-15(18(12)13)9-11-5-2-3-8-14(11)19/h2-8,10,19H,9H2,1H3
InChIKeyYCOWIHOVEKLBNT-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.42
Rot. Bonds3

About methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate

methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117142779) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117142779
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(Cc3ccccc3O)n12
InChIInChI=1S/C16H14N2O3/c1-21-16(20)13-7-4-6-12-10-17-15(18(12)13)9-11-5-2-3-8-14(11)19/h2-8,10,19H,9H2,1H3
InChIKeyYCOWIHOVEKLBNT-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate (CID 117142779) is methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2cnc(Cc3ccccc3O)n12.
What is the InChIKey of methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is YCOWIHOVEKLBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-16(20)13-7-4-6-12-10-17-15(18(12)13)9-11-5-2-3-8-14(11)19/h2-8,10,19H,9H2,1H3.
What are the key properties of methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate?
methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117142779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).