methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

C15H12ClFN2O2 — CID 139236791

IUPACmethyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)[C@@H]1N=C2C=CC(Cl)=CN2[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O2/c1-21-15(20)13-14(9-2-5-11(17)6-3-9)19-8-10(16)4-7-12(19)18-13/h2-8,13-14H,1H3/t13-,14+/m1/s1
InChIKeyZGUALMOVZUBUNK-KGLIPLIRSA-N
MW306.72 g/mol
LogP2.77
Rot. Bonds2

About methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 139236791) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID139236791
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Namemethyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)[C@@H]1N=C2C=CC(Cl)=CN2[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O2/c1-21-15(20)13-14(9-2-5-11(17)6-3-9)19-8-10(16)4-7-12(19)18-13/h2-8,13-14H,1H3/t13-,14+/m1/s1
InChIKeyZGUALMOVZUBUNK-KGLIPLIRSA-N
XLogP2.77
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-5-(2-methylpropyl)-3-propyl-4H-imidazole-5-carboxylate
CID 23629936
methyl 5-butyl-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-propyl-4H-imidazole-5-carboxylate
CID 23629938
methyl 3-butyl-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-5-(2-methylpropyl)-4H-imidazole-5-carboxylate
CID 23629971
2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid
CID 67217761
6-Bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 67963120
Ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
CID 67963127
Ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
CID 67963133
Methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
CID 135041040
ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236789
methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236790
methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236793
ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236794

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (CID 139236791) is methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is COC(=O)[C@@H]1N=C2C=CC(Cl)=CN2[C@H]1c1ccc(F)cc1.
What is the InChIKey of methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is ZGUALMOVZUBUNK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-21-15(20)13-14(9-2-5-11(17)6-3-9)19-8-10(16)4-7-12(19)18-13/h2-8,13-14H,1H3/t13-,14+/m1/s1.
What are the key properties of methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 306.72 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 139236791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).