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

C12H7ClN2O5 — CID 63376850

IUPAC6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H7ClN2O5/c13-10-5-4-9(12(16)17)11(14-10)20-8-3-1-2-7(6-8)15(18)19/h1-6H,(H,16,17)
InChIKeyRBDTVGJJWIIZAV-UHFFFAOYSA-N
MW294.65 g/mol
LogP3.13
Rot. Bonds4

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

6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 63376850) has the molecular formula C12H7ClN2O5 and a molecular weight of 294.65 g/mol. Its IUPAC name is 6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID63376850
Molecular FormulaC12H7ClN2O5
Molecular Weight294.65 g/mol
Exact Mass294.00
IUPAC Name6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H7ClN2O5/c13-10-5-4-9(12(16)17)11(14-10)20-8-3-1-2-7(6-8)15(18)19/h1-6H,(H,16,17)
InChIKeyRBDTVGJJWIIZAV-UHFFFAOYSA-N
XLogP3.13
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 53.13
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

6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 62701074
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
3-chloro-2-(3-nitrophenoxy)benzoic acid
CID 104629375
6-chloro-2-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376747
4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 60677891
6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376771
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
3-chloro-6-(3-nitrophenoxy)pyridazine
CID 6400989
6-methyl-2-(3-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554866
6-chloro-2-(4-chloro-3-ethylphenoxy)pyridine-3-carboxylic acid
CID 63376630
6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63376748
2-(2,6-dichloropyridine-3-carbonyl)-5-nitrobenzoic acid
CID 14091944

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid (CID 63376850) is 6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is RBDTVGJJWIIZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O5/c13-10-5-4-9(12(16)17)11(14-10)20-8-3-1-2-7(6-8)15(18)19/h1-6H,(H,16,17).
What are the key properties of 6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid has a molecular weight of 294.65 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63376850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).