methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate

C16H13ClN2O2 — CID 117252465

IUPACmethyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(-c3cccc(C)c3)nc(Cl)c12
InChIInChI=1S/C16H13ClN2O2/c1-10-5-3-6-11(9-10)15-18-14(17)13-12(16(20)21-2)7-4-8-19(13)15/h3-9H,1-2H3
InChIKeyZYCXWVWAVCZJQL-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.75
Rot. Bonds2

About methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate

methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117252465) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117252465
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Namemethyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(-c3cccc(C)c3)nc(Cl)c12
InChIInChI=1S/C16H13ClN2O2/c1-10-5-3-6-11(9-10)15-18-14(17)13-12(16(20)21-2)7-4-8-19(13)15/h3-9H,1-2H3
InChIKeyZYCXWVWAVCZJQL-UHFFFAOYSA-N
XLogP3.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252470
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252289
1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 84609069
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252222
methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 79073840
1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252354
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919
methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate
CID 83836379
1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridin-8-ol
CID 117252608
methyl 5-(3-methylphenyl)pyrimidine-2-carboxylate
CID 142526825
methyl 3-chloroindolizine-1-carboxylate
CID 102287159
methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
CID 54764304

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate (CID 117252465) is methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(-c3cccc(C)c3)nc(Cl)c12.
What is the InChIKey of methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is ZYCXWVWAVCZJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-5-3-6-11(9-10)15-18-14(17)13-12(16(20)21-2)7-4-8-19(13)15/h3-9H,1-2H3.
What are the key properties of methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate?
methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 300.75 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117252465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).