2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid

C12H6BrClFNO3 — CID 107063604

IUPAC2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccc(F)c(Br)c2)c1Cl
InChIInChI=1S/C12H6BrClFNO3/c13-8-5-6(1-2-9(8)15)19-11-10(14)7(12(17)18)3-4-16-11/h1-5H,(H,17,18)
InChIKeyFKKZIXZNWYLEEE-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.13
Rot. Bonds3

About 2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid

2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid (PubChem CID 107063604) has the molecular formula C12H6BrClFNO3 and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
PubChem CID107063604
Molecular FormulaC12H6BrClFNO3
Molecular Weight346.54 g/mol
Exact Mass344.92
IUPAC Name2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccc(F)c(Br)c2)c1Cl
InChIInChI=1S/C12H6BrClFNO3/c13-8-5-6(1-2-9(8)15)19-11-10(14)7(12(17)18)3-4-16-11/h1-5H,(H,17,18)
InChIKeyFKKZIXZNWYLEEE-UHFFFAOYSA-N
XLogP4.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949
2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063355
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 65203992
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
2-(3-bromo-4-fluorophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629546

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid (CID 107063604) is 2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid is O=C(O)c1ccnc(Oc2ccc(F)c(Br)c2)c1Cl.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid?
The InChIKey is FKKZIXZNWYLEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFNO3/c13-8-5-6(1-2-9(8)15)19-11-10(14)7(12(17)18)3-4-16-11/h1-5H,(H,17,18).
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid?
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid has a molecular weight of 346.54 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 107063604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).