2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid

C12H6BrClN2O5 — CID 114916966

IUPAC2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2c(Br)cccc2[N+](=O)[O-])ncc1Cl
InChIInChI=1S/C12H6BrClN2O5/c13-7-2-1-3-9(16(19)20)11(7)21-10-4-6(12(17)18)8(14)5-15-10/h1-5H,(H,17,18)
InChIKeyZHLKPMBGPZHJEM-UHFFFAOYSA-N
MW373.55 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid

2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid (PubChem CID 114916966) has the molecular formula C12H6BrClN2O5 and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid
PubChem CID114916966
Molecular FormulaC12H6BrClN2O5
Molecular Weight373.55 g/mol
Exact Mass371.91
IUPAC Name2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2c(Br)cccc2[N+](=O)[O-])ncc1Cl
InChIInChI=1S/C12H6BrClN2O5/c13-7-2-1-3-9(16(19)20)11(7)21-10-4-6(12(17)18)8(14)5-15-10/h1-5H,(H,17,18)
InChIKeyZHLKPMBGPZHJEM-UHFFFAOYSA-N
XLogP3.90
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 53.90
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'}

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Related Compounds

5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916895
4-bromo-2-(2-bromo-6-nitrophenoxy)benzoic acid
CID 81495959
5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
[6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol
CID 81499821
3-(2-bromo-6-nitrophenoxy)-4-methylbenzoic acid
CID 105405887
3-chloro-2-(2-chloro-6-nitrophenoxy)pyridine-4-carboxylic acid
CID 107718864
2-bromobenzoic acid;2-nitrobenzoic acid
CID 67658620
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
2-(3-bromophenoxy)-3-nitrobenzoic acid
CID 115930695
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
2-(2-bromophenoxy)-3-chloro-5-nitrobenzoic acid
CID 107186728
1-[4-(2-bromo-6-nitrophenoxy)-2-chlorophenyl]ethanamine
CID 81495777

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid (CID 114916966) is 2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid is O=C(O)c1cc(Oc2c(Br)cccc2[N+](=O)[O-])ncc1Cl.
What is the InChIKey of 2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid?
The InChIKey is ZHLKPMBGPZHJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O5/c13-7-2-1-3-9(16(19)20)11(7)21-10-4-6(12(17)18)8(14)5-15-10/h1-5H,(H,17,18).
What are the key properties of 2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid?
2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid has a molecular weight of 373.55 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 114916966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).