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

C12H6Cl2N2O5 — CID 29033059

IUPAC3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H6Cl2N2O5/c13-6-1-3-9(8(5-6)16(19)20)21-10-4-2-7(14)11(15-10)12(17)18/h1-5H,(H,17,18)
InChIKeyNNHZLIVZUAEGMY-UHFFFAOYSA-N
MW329.10 g/mol
LogP3.79
Rot. Bonds4

About 3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid

3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid (PubChem CID 29033059) has the molecular formula C12H6Cl2N2O5 and a molecular weight of 329.10 g/mol. Its IUPAC name is 3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid
PubChem CID29033059
Molecular FormulaC12H6Cl2N2O5
Molecular Weight329.10 g/mol
Exact Mass327.97
IUPAC Name3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H6Cl2N2O5/c13-6-1-3-9(8(5-6)16(19)20)21-10-4-2-7(14)11(15-10)12(17)18/h1-5H,(H,17,18)
InChIKeyNNHZLIVZUAEGMY-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

3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 61030638
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
2-(4-chloro-2-nitrophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554753
2-bromo-6-(4-chloro-2-nitrophenoxy)pyridine
CID 63961282
6-(2,4-dichlorophenoxy)-3-methylpyridine-2-carboxylic acid
CID 70146430
4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912253
methyl 6-(4-chloro-2-nitrophenoxy)pyrazine-2-carboxylate
CID 66457481
2-chloro-6-(5-chloro-2-nitrophenoxy)pyridine
CID 63587633
[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911648
4-(4-chloro-2-nitrophenoxy)benzamide
CID 9108833
6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid
CID 107097920
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
CID 2405242

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid (CID 29033059) is 3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid is O=C(O)c1nc(Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl.
What is the InChIKey of 3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid?
The InChIKey is NNHZLIVZUAEGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O5/c13-6-1-3-9(8(5-6)16(19)20)21-10-4-2-7(14)11(15-10)12(17)18/h1-5H,(H,17,18).
What are the key properties of 3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid?
3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-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 3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 29033059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).