2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid

C12H7IN2O5 — CID 104629516

IUPAC2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cc([N+](=O)[O-])cnc1Oc1ccccc1I
InChIInChI=1S/C12H7IN2O5/c13-9-3-1-2-4-10(9)20-11-8(12(16)17)5-7(6-14-11)15(18)19/h1-6H,(H,16,17)
InChIKeyZQJOEVWKXNOOMK-UHFFFAOYSA-N
MW386.10 g/mol
LogP3.08
Rot. Bonds4

About 2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid

2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid (PubChem CID 104629516) has the molecular formula C12H7IN2O5 and a molecular weight of 386.10 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid
PubChem CID104629516
Molecular FormulaC12H7IN2O5
Molecular Weight386.10 g/mol
Exact Mass385.94
IUPAC Name2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cc([N+](=O)[O-])cnc1Oc1ccccc1I
InChIInChI=1S/C12H7IN2O5/c13-9-3-1-2-4-10(9)20-11-8(12(16)17)5-7(6-14-11)15(18)19/h1-6H,(H,16,17)
InChIKeyZQJOEVWKXNOOMK-UHFFFAOYSA-N
XLogP3.08
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.10
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

2-[(3,5-dinitro-2-pyridinyl)oxy]benzoic acid
CID 134120284
2-(2-bromo-5-fluorophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629517
2-(3-bromophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629363
2-(3-bromo-4-fluorophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629546
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625
2-[(3-bromo-5-nitro-2-pyridinyl)oxy]-5-chlorobenzoic acid
CID 79531145
2-(2,2-difluoroethoxy)-5-nitropyridine-3-carboxylic acid;hydrochloride
CID 87275022
2-[1-(dimethylamino)propan-2-yloxy]-5-nitropyridine-3-carboxylic acid
CID 112741290
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
3-(2-iodophenoxy)pyridazine-4-carboxylic acid
CID 80517144
2-(2-iodophenoxy)-5-methyl-4-nitropyridine
CID 83269728
2-iodo-5-nitrobenzoic acid
CID 3848745

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid (CID 104629516) is 2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid is O=C(O)c1cc([N+](=O)[O-])cnc1Oc1ccccc1I.
What is the InChIKey of 2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid?
The InChIKey is ZQJOEVWKXNOOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IN2O5/c13-9-3-1-2-4-10(9)20-11-8(12(16)17)5-7(6-14-11)15(18)19/h1-6H,(H,16,17).
What are the key properties of 2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid?
2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid has a molecular weight of 386.10 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 104629516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).