6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid

C12H6Br2N2O5 — CID 62253740

IUPAC6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)n1
InChIInChI=1S/C12H6Br2N2O5/c13-7-4-6(16(19)20)5-8(14)11(7)21-10-3-1-2-9(15-10)12(17)18/h1-5H,(H,17,18)
InChIKeyLWLWZXPONXDAOV-UHFFFAOYSA-N
MW418.00 g/mol
LogP4.01
Rot. Bonds4

About 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid

6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid (PubChem CID 62253740) has the molecular formula C12H6Br2N2O5 and a molecular weight of 418.00 g/mol. Its IUPAC name is 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid
PubChem CID62253740
Molecular FormulaC12H6Br2N2O5
Molecular Weight418.00 g/mol
Exact Mass415.86
IUPAC Name6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)n1
InChIInChI=1S/C12H6Br2N2O5/c13-7-4-6(16(19)20)5-8(14)11(7)21-10-3-1-2-9(15-10)12(17)18/h1-5H,(H,17,18)
InChIKeyLWLWZXPONXDAOV-UHFFFAOYSA-N
XLogP4.01
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-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-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 63587249
4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
CID 80740183
5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 62098836
6-(2,6-dimethoxyphenoxy)pyridine-2-carboxylic acid
CID 62255155
6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid
CID 114270905
5-(2-bromo-5-nitrophenoxy)pyrazine-2-carboxylic acid
CID 103012898
2-bromo-6-(2,6-dibromo-4-nitrophenoxy)benzonitrile
CID 114881658
2-(2-bromophenoxy)-3-chloro-5-nitrobenzoic acid
CID 107186728
2-(3-bromo-5-nitrophenoxy)-6-chloropyridine
CID 103588560
6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine
CID 116797883
5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one
CID 164850593
6-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 55053506

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid (CID 62253740) is 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid is O=C(O)c1cccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)n1.
What is the InChIKey of 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid?
The InChIKey is LWLWZXPONXDAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2N2O5/c13-7-4-6(16(19)20)5-8(14)11(7)21-10-3-1-2-9(15-10)12(17)18/h1-5H,(H,17,18).
What are the key properties of 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid?
6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid has a molecular weight of 418.00 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 62253740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).