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

C12H6Cl2N2O5 — CID 114916898

IUPAC5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ncc1Cl
InChIInChI=1S/C12H6Cl2N2O5/c13-8-3-6(16(19)20)1-2-10(8)21-11-4-7(12(17)18)9(14)5-15-11/h1-5H,(H,17,18)
InChIKeyJNYQUGBTNXGOAV-UHFFFAOYSA-N
MW329.10 g/mol
LogP3.79
Rot. Bonds4

About 5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid

5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid (PubChem CID 114916898) has the molecular formula C12H6Cl2N2O5 and a molecular weight of 329.10 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
PubChem CID114916898
Molecular FormulaC12H6Cl2N2O5
Molecular Weight329.10 g/mol
Exact Mass327.97
IUPAC Name5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ncc1Cl
InChIInChI=1S/C12H6Cl2N2O5/c13-8-3-6(16(19)20)1-2-10(8)21-11-4-7(12(17)18)9(14)5-15-11/h1-5H,(H,17,18)
InChIKeyJNYQUGBTNXGOAV-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': '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
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
4-chloro-2-(2-chloro-4-nitrophenoxy)benzoic acid
CID 61395911
2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61031154
2-bromo-4-(2-chloro-4-nitrophenoxy)benzoic acid
CID 107282520
1-[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 86796225
2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916966
CID 161054765
CID 161054765
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
potassium 2-chloro-4-nitrobenzoic acid
CID 23673793

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid (CID 114916898) is 5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid is O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ncc1Cl.
What is the InChIKey of 5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid?
The InChIKey is JNYQUGBTNXGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O5/c13-8-3-6(16(19)20)1-2-10(8)21-11-4-7(12(17)18)9(14)5-15-11/h1-5H,(H,17,18).
What are the key properties of 5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid?
5-chloro-2-(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 5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114916898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).