ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate

C14H11BrFNO3 — CID 24707678

IUPACethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(F)cc2Br)nc1
InChIInChI=1S/C14H11BrFNO3/c1-2-19-14(18)9-3-6-13(17-8-9)20-12-5-4-10(16)7-11(12)15/h3-8H,2H2,1H3
InChIKeyXGKGDXNRASEZQL-UHFFFAOYSA-N
MW340.15 g/mol
LogP3.95
Rot. Bonds4

About ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate

ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate (PubChem CID 24707678) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
PubChem CID24707678
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Nameethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(F)cc2Br)nc1
InChIInChI=1S/C14H11BrFNO3/c1-2-19-14(18)9-3-6-13(17-8-9)20-12-5-4-10(16)7-11(12)15/h3-8H,2H2,1H3
InChIKeyXGKGDXNRASEZQL-UHFFFAOYSA-N
XLogP3.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586
(E)-3-[6-(2-bromo-4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632966
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
ethyl 4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzoate
CID 2627574
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
CID 79844299
ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
CID 31536724
ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate
CID 142415214

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate (CID 24707678) is ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2ccc(F)cc2Br)nc1.
What is the InChIKey of ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate?
The InChIKey is XGKGDXNRASEZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-2-19-14(18)9-3-6-13(17-8-9)20-12-5-4-10(16)7-11(12)15/h3-8H,2H2,1H3.
What are the key properties of ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate?
ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate has a molecular weight of 340.15 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 24707678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).