methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate

C13H9BrFNO3 — CID 60722701

IUPACmethyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H9BrFNO3/c1-18-13(17)9-3-2-6-16-12(9)19-11-5-4-8(15)7-10(11)14/h2-7H,1H3
InChIKeyNJNOAFWADJGBQQ-UHFFFAOYSA-N
MW326.12 g/mol
LogP3.56
Rot. Bonds3

About methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate

methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate (PubChem CID 60722701) has the molecular formula C13H9BrFNO3 and a molecular weight of 326.12 g/mol. Its IUPAC name is methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
PubChem CID60722701
Molecular FormulaC13H9BrFNO3
Molecular Weight326.12 g/mol
Exact Mass324.97
IUPAC Namemethyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H9BrFNO3/c1-18-13(17)9-3-2-6-16-12(9)19-11-5-4-8(15)7-10(11)14/h2-7H,1H3
InChIKeyNJNOAFWADJGBQQ-UHFFFAOYSA-N
XLogP3.56
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate
CID 103011853
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47047756
2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide
CID 86862309
2-(2-bromo-4-fluorophenoxy)-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55789405
2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 71893565
[4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55789308
3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide
CID 55103097
2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 55791334
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597
methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate
CID 102703090

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate (CID 60722701) is methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate is COC(=O)c1cccnc1Oc1ccc(F)cc1Br.
What is the InChIKey of methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate?
The InChIKey is NJNOAFWADJGBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3/c1-18-13(17)9-3-2-6-16-12(9)19-11-5-4-8(15)7-10(11)14/h2-7H,1H3.
What are the key properties of methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate?
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate has a molecular weight of 326.12 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 60722701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).