2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid

C16H13FN2O3 — CID 82060605

IUPAC2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCOc1ccc(-c2nc3ccc(F)cn3c2CC(=O)O)cc1
InChIInChI=1S/C16H13FN2O3/c1-22-12-5-2-10(3-6-12)16-13(8-15(20)21)19-9-11(17)4-7-14(19)18-16/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyNOWUIFUUUSCUSB-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.78
Rot. Bonds4

About 2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid

2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 82060605) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID82060605
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCOc1ccc(-c2nc3ccc(F)cn3c2CC(=O)O)cc1
InChIInChI=1S/C16H13FN2O3/c1-22-12-5-2-10(3-6-12)16-13(8-15(20)21)19-9-11(17)4-7-14(19)18-16/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyNOWUIFUUUSCUSB-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060601
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetic acid
CID 90724912
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578
3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195767
2-[2-(3,4-difluorophenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 134152043
[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896
3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67030270
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone
CID 163800953
2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060561
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 53118530

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid (CID 82060605) is 2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid is COc1ccc(-c2nc3ccc(F)cn3c2CC(=O)O)cc1.
What is the InChIKey of 2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is NOWUIFUUUSCUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-22-12-5-2-10(3-6-12)16-13(8-15(20)21)19-9-11(17)4-7-14(19)18-16/h2-7,9H,8H2,1H3,(H,20,21).
What are the key properties of 2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 300.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 82060605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).