2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid

C12H6BrCl2NO3 — CID 107063534

IUPAC2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2cc(Br)ccc2Cl)c1Cl
InChIInChI=1S/C12H6BrCl2NO3/c13-6-1-2-8(14)9(5-6)19-11-10(15)7(12(17)18)3-4-16-11/h1-5H,(H,17,18)
InChIKeyNSENSFOCXMOQGF-UHFFFAOYSA-N
MW362.99 g/mol
LogP4.64
Rot. Bonds3

About 2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid

2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid (PubChem CID 107063534) has the molecular formula C12H6BrCl2NO3 and a molecular weight of 362.99 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
PubChem CID107063534
Molecular FormulaC12H6BrCl2NO3
Molecular Weight362.99 g/mol
Exact Mass360.89
IUPAC Name2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2cc(Br)ccc2Cl)c1Cl
InChIInChI=1S/C12H6BrCl2NO3/c13-6-1-2-8(14)9(5-6)19-11-10(15)7(12(17)18)3-4-16-11/h1-5H,(H,17,18)
InChIKeyNSENSFOCXMOQGF-UHFFFAOYSA-N
XLogP4.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.99
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid 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

3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063355
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034139
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 81225762
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063252
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
3-amino-2-(5-bromo-2-chlorophenoxy)benzoic acid
CID 112579858

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid (CID 107063534) is 2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid is O=C(O)c1ccnc(Oc2cc(Br)ccc2Cl)c1Cl.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid?
The InChIKey is NSENSFOCXMOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2NO3/c13-6-1-2-8(14)9(5-6)19-11-10(15)7(12(17)18)3-4-16-11/h1-5H,(H,17,18).
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid?
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid has a molecular weight of 362.99 g/mol, XLogP of 4.64, 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)-3-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 107063534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).