imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate

C16H13FN2O3 — CID 7523277

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cn3ccccc3n2)cc1F
InChIInChI=1S/C16H13FN2O3/c1-21-14-6-5-11(8-13(14)17)16(20)22-10-12-9-19-7-3-2-4-15(19)18-12/h2-9H,10H2,1H3
InChIKeyZQLMIKQMSODVER-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.84
Rot. Bonds4

About imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate

imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate (PubChem CID 7523277) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
PubChem CID7523277
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cn3ccccc3n2)cc1F
InChIInChI=1S/C16H13FN2O3/c1-21-14-6-5-11(8-13(14)17)16(20)22-10-12-9-19-7-3-2-4-15(19)18-12/h2-9H,10H2,1H3
InChIKeyZQLMIKQMSODVER-UHFFFAOYSA-N
XLogP2.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate
CID 7625039
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 7151600
imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171273
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
CID 60656851
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 55317319
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
CID 60656920
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55405276
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
CID 60698887
imidazo[1,2-a]pyridin-2-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 7761611
3-(difluoromethoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzamide
CID 47040736

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate (CID 7523277) is imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCc2cn3ccccc3n2)cc1F.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate?
The InChIKey is ZQLMIKQMSODVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-21-14-6-5-11(8-13(14)17)16(20)22-10-12-9-19-7-3-2-4-15(19)18-12/h2-9H,10H2,1H3.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate has a molecular weight of 300.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 7523277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).