methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate

C13H9BrFNO3 — CID 81332451

IUPACmethyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2cc(F)cc(Br)c2)ccn1
InChIInChI=1S/C13H9BrFNO3/c1-18-13(17)12-7-10(2-3-16-12)19-11-5-8(14)4-9(15)6-11/h2-7H,1H3
InChIKeyDSFCWRSOCZUHRV-UHFFFAOYSA-N
MW326.12 g/mol
LogP3.56
Rot. Bonds3

About methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate

methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate (PubChem CID 81332451) has the molecular formula C13H9BrFNO3 and a molecular weight of 326.12 g/mol. Its IUPAC name is methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate
PubChem CID81332451
Molecular FormulaC13H9BrFNO3
Molecular Weight326.12 g/mol
Exact Mass324.97
IUPAC Namemethyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2cc(F)cc(Br)c2)ccn1
InChIInChI=1S/C13H9BrFNO3/c1-18-13(17)12-7-10(2-3-16-12)19-11-5-8(14)4-9(15)6-11/h2-7H,1H3
InChIKeyDSFCWRSOCZUHRV-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

Analyze methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
CID 23153479
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate
CID 66287690
4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine
CID 113368173
4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide
CID 103589245
methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
CID 106485855
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886
methyl 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 71248936

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate (CID 81332451) is methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate is COC(=O)c1cc(Oc2cc(F)cc(Br)c2)ccn1.
What is the InChIKey of methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate?
The InChIKey is DSFCWRSOCZUHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3/c1-18-13(17)12-7-10(2-3-16-12)19-11-5-8(14)4-9(15)6-11/h2-7H,1H3.
What are the key properties of methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate?
methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-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 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 81332451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).