methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate

C13H8BrF2NO3 — CID 90284883

IUPACmethyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1Oc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H8BrF2NO3/c1-19-13(18)11-10(3-2-4-17-11)20-12-8(15)5-7(14)6-9(12)16/h2-6H,1H3
InChIKeyZNESKXOFCCKNHQ-UHFFFAOYSA-N
MW344.11 g/mol
LogP3.70
Rot. Bonds3

About methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate

methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate (PubChem CID 90284883) has the molecular formula C13H8BrF2NO3 and a molecular weight of 344.11 g/mol. Its IUPAC name is methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate
PubChem CID90284883
Molecular FormulaC13H8BrF2NO3
Molecular Weight344.11 g/mol
Exact Mass342.97
IUPAC Namemethyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1Oc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H8BrF2NO3/c1-19-13(18)11-10(3-2-4-17-11)20-12-8(15)5-7(14)6-9(12)16/h2-6H,1H3
InChIKeyZNESKXOFCCKNHQ-UHFFFAOYSA-N
XLogP3.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.11
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate
CID 141407596
3-(5-bromo-2-fluorophenoxy)pyridine-2-carboxylic acid
CID 114677043
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
methyl 3-(3-bromophenyl)pyridine-2-carboxylate
CID 102538275
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
bromo 3-methoxypyridine-2-carboxylate
CID 71151009
3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136860116
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate
CID 175067958
methyl 3-(3-bromobenzoyl)pyridine-2-carboxylate
CID 19700837
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
methyl 7-fluoroisoquinoline-1-carboxylate
CID 82572059

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate (CID 90284883) is methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate is COC(=O)c1ncccc1Oc1c(F)cc(Br)cc1F.
What is the InChIKey of methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate?
The InChIKey is ZNESKXOFCCKNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO3/c1-19-13(18)11-10(3-2-4-17-11)20-12-8(15)5-7(14)6-9(12)16/h2-6H,1H3.
What are the key properties of methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate?
methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate has a molecular weight of 344.11 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 90284883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).