methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate

C15H10ClFN2O2 — CID 117251991

IUPACmethyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3ccc(F)cc3)nc(Cl)c2c1
InChIInChI=1S/C15H10ClFN2O2/c1-21-15(20)10-6-7-19-12(8-10)13(16)18-14(19)9-2-4-11(17)5-3-9/h2-8H,1H3
InChIKeyNSBMAGGYEZUYML-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.58
Rot. Bonds2

About methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate

methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 117251991) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID117251991
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Namemethyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3ccc(F)cc3)nc(Cl)c2c1
InChIInChI=1S/C15H10ClFN2O2/c1-21-15(20)10-6-7-19-12(8-10)13(16)18-14(19)9-2-4-11(17)5-3-9/h2-8H,1H3
InChIKeyNSBMAGGYEZUYML-UHFFFAOYSA-N
XLogP3.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251989
1-chloro-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83870930
methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251812
methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate
CID 117251796
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251877
1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine
CID 117250849
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 1-chloro-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251573
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191
1-chloro-3-(4-chlorophenyl)-7-methylimidazo[1,5-a]pyridine
CID 117252034
3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005666
methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate
CID 90383278

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate (CID 117251991) is methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(-c3ccc(F)cc3)nc(Cl)c2c1.
What is the InChIKey of methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is NSBMAGGYEZUYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-21-15(20)10-6-7-19-12(8-10)13(16)18-14(19)9-2-4-11(17)5-3-9/h2-8H,1H3.
What are the key properties of methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate?
methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 304.71 g/mol, XLogP of 3.58, 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-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117251991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).