(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate

C17H13ClF2N2O4 — CID 7151600

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2cn3cc(Cl)ccc3n2)ccc1OC(F)F
InChIInChI=1S/C17H13ClF2N2O4/c1-24-14-6-10(2-4-13(14)26-17(19)20)16(23)25-9-12-8-22-7-11(18)3-5-15(22)21-12/h2-8,17H,9H2,1H3
InChIKeyXWRQCFCKCOXCSA-UHFFFAOYSA-N
MW382.75 g/mol
LogP3.95
Rot. Bonds6

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate (PubChem CID 7151600) has the molecular formula C17H13ClF2N2O4 and a molecular weight of 382.75 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
PubChem CID7151600
Molecular FormulaC17H13ClF2N2O4
Molecular Weight382.75 g/mol
Exact Mass382.05
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2cn3cc(Cl)ccc3n2)ccc1OC(F)F
InChIInChI=1S/C17H13ClF2N2O4/c1-24-14-6-10(2-4-13(14)26-17(19)20)16(23)25-9-12-8-22-7-11(18)3-5-15(22)21-12/h2-8,17H,9H2,1H3
InChIKeyXWRQCFCKCOXCSA-UHFFFAOYSA-N
XLogP3.95
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.75
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 8819981
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 18099823
(4-methylsulfanylphenyl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 4858469
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
CID 24686105
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 16610074
3-(difluoromethoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzamide
CID 47040736
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911730
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxybenzoate
CID 18099535
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
CID 52563386

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate (CID 7151600) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate is COc1cc(C(=O)OCc2cn3cc(Cl)ccc3n2)ccc1OC(F)F.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The InChIKey is XWRQCFCKCOXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O4/c1-24-14-6-10(2-4-13(14)26-17(19)20)16(23)25-9-12-8-22-7-11(18)3-5-15(22)21-12/h2-8,17H,9H2,1H3.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate has a molecular weight of 382.75 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate is sourced from PubChem (CID 7151600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).