2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid

C12H6BrCl2NO3 — CID 63376889

IUPAC2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C12H6BrCl2NO3/c13-6-1-3-9(8(14)5-6)19-11-7(12(17)18)2-4-10(15)16-11/h1-5H,(H,17,18)
InChIKeyPSJRSCCARODPHY-UHFFFAOYSA-N
MW362.99 g/mol
LogP4.64
Rot. Bonds3

About 2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid

2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid (PubChem CID 63376889) has the molecular formula C12H6BrCl2NO3 and a molecular weight of 362.99 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid
PubChem CID63376889
Molecular FormulaC12H6BrCl2NO3
Molecular Weight362.99 g/mol
Exact Mass360.89
IUPAC Name2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C12H6BrCl2NO3/c13-6-1-3-9(8(14)5-6)19-11-7(12(17)18)2-4-10(15)16-11/h1-5H,(H,17,18)
InChIKeyPSJRSCCARODPHY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255
2-(2-bromophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376743
2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701399
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376771
6-chloro-2-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376747
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
6-chloro-2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376629
6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
CID 55185255
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
6-chloro-2-(4-chloro-3-ethylphenoxy)pyridine-3-carboxylic acid
CID 63376630

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid (CID 63376889) is 2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid?
The InChIKey is PSJRSCCARODPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2NO3/c13-6-1-3-9(8(14)5-6)19-11-7(12(17)18)2-4-10(15)16-11/h1-5H,(H,17,18).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid?
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-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-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 63376889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).