2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid

C12H6Cl2N2O5 — CID 61031154

IUPAC2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Oc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C12H6Cl2N2O5/c13-8-5-7(16(19)20)1-2-9(8)21-11-4-6(12(17)18)3-10(14)15-11/h1-5H,(H,17,18)
InChIKeyAUESCTLTHUOKIF-UHFFFAOYSA-N
MW329.10 g/mol
LogP3.79
Rot. Bonds4

About 2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid

2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid (PubChem CID 61031154) has the molecular formula C12H6Cl2N2O5 and a molecular weight of 329.10 g/mol. Its IUPAC name is 2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
PubChem CID61031154
Molecular FormulaC12H6Cl2N2O5
Molecular Weight329.10 g/mol
Exact Mass327.97
IUPAC Name2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Oc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C12H6Cl2N2O5/c13-8-5-7(16(19)20)1-2-9(8)21-11-4-6(12(17)18)3-10(14)15-11/h1-5H,(H,17,18)
InChIKeyAUESCTLTHUOKIF-UHFFFAOYSA-N
XLogP3.79
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
CID 63963412
4-chloro-2-(2-chloro-4-nitrophenoxy)benzoic acid
CID 61395911
2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid
CID 43479681
(2-chloro-4-nitrophenyl) acetate
CID 14345185
4-(2-chloro-4-nitrophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80871357
2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766888
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid
CID 63269240
4-(2-chloro-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 66437146
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid (CID 61031154) is 2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(Oc2ccc([N+](=O)[O-])cc2Cl)c1.
What is the InChIKey of 2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid?
The InChIKey is AUESCTLTHUOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O5/c13-8-5-7(16(19)20)1-2-9(8)21-11-4-6(12(17)18)3-10(14)15-11/h1-5H,(H,17,18).
What are the key properties of 2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid?
2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid has a molecular weight of 329.10 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 61031154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).