8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

C17H11F5N2O3 — CID 86724683

IUPAC8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C(F)(F)F)c(C(=O)O)n2c1
InChIInChI=1S/C17H11F5N2O3/c1-8-5-12(27-7-9-10(18)3-2-4-11(9)19)15-23-14(17(20,21)22)13(16(25)26)24(15)6-8/h2-6H,7H2,1H3,(H,25,26)
InChIKeyDOWJTEONLRVKOQ-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.22
Rot. Bonds4

About 8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 86724683) has the molecular formula C17H11F5N2O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID86724683
Molecular FormulaC17H11F5N2O3
Molecular Weight386.28 g/mol
Exact Mass386.07
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C(F)(F)F)c(C(=O)O)n2c1
InChIInChI=1S/C17H11F5N2O3/c1-8-5-12(27-7-9-10(18)3-2-4-11(9)19)15-23-14(17(20,21)22)13(16(25)26)24(15)6-8/h2-6H,7H2,1H3,(H,25,26)
InChIKeyDOWJTEONLRVKOQ-UHFFFAOYSA-N
XLogP4.22
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 86717884
ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 144953601
4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile
CID 147595414
1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone
CID 157458892
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid
CID 90114298
1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid
CID 90114031
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
CID 90114214
N-(2-aminopropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114683
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-N-prop-2-enoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 118402064
tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate
CID 147590375
N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 118403400
3-(chloromethyl)-5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-5-oxopentanenitrile
CID 159330121

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 86724683) is 8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cc(OCc2c(F)cccc2F)c2nc(C(F)(F)F)c(C(=O)O)n2c1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is DOWJTEONLRVKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O3/c1-8-5-12(27-7-9-10(18)3-2-4-11(9)19)15-23-14(17(20,21)22)13(16(25)26)24(15)6-8/h2-6H,7H2,1H3,(H,25,26).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 386.28 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 86724683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).