2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid

C12H6BrClFNO3 — CID 114034139

IUPAC2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C12H6BrClFNO3/c13-6-1-2-9(14)10(3-6)19-11-8(12(17)18)4-7(15)5-16-11/h1-5H,(H,17,18)
InChIKeyJVYJPNJJBRSHLU-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.13
Rot. Bonds3

About 2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid

2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid (PubChem CID 114034139) has the molecular formula C12H6BrClFNO3 and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
PubChem CID114034139
Molecular FormulaC12H6BrClFNO3
Molecular Weight346.54 g/mol
Exact Mass344.92
IUPAC Name2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C12H6BrClFNO3/c13-6-1-2-9(14)10(3-6)19-11-8(12(17)18)4-7(15)5-16-11/h1-5H,(H,17,18)
InChIKeyJVYJPNJJBRSHLU-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

2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 81225762
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367227
2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034131
2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367395
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114034145
2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid
CID 107016480
3-amino-2-(5-bromo-2-chlorophenoxy)benzoic acid
CID 112579858
3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid
CID 112676365
5-chloro-2-(2-chloro-5-fluorophenoxy)pyridine-3-carboxamide
CID 141112105

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid (CID 114034139) is 2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1Oc1cc(Br)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid?
The InChIKey is JVYJPNJJBRSHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFNO3/c13-6-1-2-9(14)10(3-6)19-11-8(12(17)18)4-7(15)5-16-11/h1-5H,(H,17,18).
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid?
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-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-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 114034139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).