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

C12H7ClN2O5 — CID 114916895

IUPAC5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccccc2[N+](=O)[O-])ncc1Cl
InChIInChI=1S/C12H7ClN2O5/c13-8-6-14-11(5-7(8)12(16)17)20-10-4-2-1-3-9(10)15(18)19/h1-6H,(H,16,17)
InChIKeyANJPWBHCCISBIV-UHFFFAOYSA-N
MW294.65 g/mol
LogP3.13
Rot. Bonds4

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

5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid (PubChem CID 114916895) has the molecular formula C12H7ClN2O5 and a molecular weight of 294.65 g/mol. Its IUPAC name is 5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
PubChem CID114916895
Molecular FormulaC12H7ClN2O5
Molecular Weight294.65 g/mol
Exact Mass294.00
IUPAC Name5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccccc2[N+](=O)[O-])ncc1Cl
InChIInChI=1S/C12H7ClN2O5/c13-8-6-14-11(5-7(8)12(16)17)20-10-4-2-1-3-9(10)15(18)19/h1-6H,(H,16,17)
InChIKeyANJPWBHCCISBIV-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916966
5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 79175885
3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 61030638
2-(2-nitrophenoxy)benzoic acid
CID 19922477
4-fluoro-2-(2-nitrophenoxy)benzoic acid
CID 107016486
6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069
4-bromo-2-(2-nitrophenoxy)benzoic acid
CID 61031019
5-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 113321699

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid (CID 114916895) is 5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid is O=C(O)c1cc(Oc2ccccc2[N+](=O)[O-])ncc1Cl.
What is the InChIKey of 5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid?
The InChIKey is ANJPWBHCCISBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O5/c13-8-6-14-11(5-7(8)12(16)17)20-10-4-2-1-3-9(10)15(18)19/h1-6H,(H,16,17).
What are the key properties of 5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid?
5-chloro-2-(2-nitrophenoxy)pyridine-4-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 5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114916895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).