methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

C15H15ClN2O3 — CID 137005490

IUPACmethyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2c(-c3ccccc3O)nc(Cl)c2C1
InChIInChI=1S/C15H15ClN2O3/c1-21-15(20)9-6-7-18-11(8-9)13(16)17-14(18)10-4-2-3-5-12(10)19/h2-5,9,19H,6-8H2,1H3
InChIKeyXLECNTVJIFOFNI-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.64
Rot. Bonds2

About methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 137005490) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
PubChem CID137005490
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Namemethyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2c(-c3ccccc3O)nc(Cl)c2C1
InChIInChI=1S/C15H15ClN2O3/c1-21-15(20)9-6-7-18-11(8-9)13(16)17-14(18)10-4-2-3-5-12(10)19/h2-5,9,19H,6-8H2,1H3
InChIKeyXLECNTVJIFOFNI-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate with MolForge

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Related Compounds

1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249335
1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249330
3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249342
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117249360
methyl 1-chloro-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248986
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249395
methyl 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248901
3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005501
methyl 1-chloro-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248583
methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117249222
6-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248667
methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117249264

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (CID 137005490) is methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is COC(=O)C1CCn2c(-c3ccccc3O)nc(Cl)c2C1.
What is the InChIKey of methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is XLECNTVJIFOFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-15(20)9-6-7-18-11(8-9)13(16)17-14(18)10-4-2-3-5-12(10)19/h2-5,9,19H,6-8H2,1H3.
What are the key properties of methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 306.75 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 137005490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).