2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid

C12H7BrClNO3 — CID 107063355

IUPAC2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccccc2Br)c1Cl
InChIInChI=1S/C12H7BrClNO3/c13-8-3-1-2-4-9(8)18-11-10(14)7(12(16)17)5-6-15-11/h1-6H,(H,16,17)
InChIKeyMMQKFZKQEBYXHB-UHFFFAOYSA-N
MW328.55 g/mol
LogP3.99
Rot. Bonds3

About 2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid

2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid (PubChem CID 107063355) has the molecular formula C12H7BrClNO3 and a molecular weight of 328.55 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
PubChem CID107063355
Molecular FormulaC12H7BrClNO3
Molecular Weight328.55 g/mol
Exact Mass326.93
IUPAC Name2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccccc2Br)c1Cl
InChIInChI=1S/C12H7BrClNO3/c13-8-3-1-2-4-9(8)18-11-10(14)7(12(16)17)5-6-15-11/h1-6H,(H,16,17)
InChIKeyMMQKFZKQEBYXHB-UHFFFAOYSA-N
XLogP3.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenoxy)-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

2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063252
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
2-(2-bromophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376743
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid
CID 107063434
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
3-(2-bromophenoxy)pyridine-4-carboxylic acid
CID 114288896
4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid
CID 11855343
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid (CID 107063355) is 2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid is O=C(O)c1ccnc(Oc2ccccc2Br)c1Cl.
What is the InChIKey of 2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid?
The InChIKey is MMQKFZKQEBYXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO3/c13-8-3-1-2-4-9(8)18-11-10(14)7(12(16)17)5-6-15-11/h1-6H,(H,16,17).
What are the key properties of 2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid?
2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid has a molecular weight of 328.55 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 107063355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).