3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid

C7H2F3IN2O5 — CID 134664731

IUPAC3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc([N+](=O)[O-])c(OC(F)(F)F)cc1I
InChIInChI=1S/C7H2F3IN2O5/c8-7(9,10)18-3-1-2(11)4(6(14)15)12-5(3)13(16)17/h1H,(H,14,15)
InChIKeyQNRNKWFBOHMVSG-UHFFFAOYSA-N
MW378.00 g/mol
LogP2.19
Rot. Bonds3

About 3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid

3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 134664731) has the molecular formula C7H2F3IN2O5 and a molecular weight of 378.00 g/mol. Its IUPAC name is 3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID134664731
Molecular FormulaC7H2F3IN2O5
Molecular Weight378.00 g/mol
Exact Mass377.90
IUPAC Name3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc([N+](=O)[O-])c(OC(F)(F)F)cc1I
InChIInChI=1S/C7H2F3IN2O5/c8-7(9,10)18-3-1-2(11)4(6(14)15)12-5(3)13(16)17/h1H,(H,14,15)
InChIKeyQNRNKWFBOHMVSG-UHFFFAOYSA-N
XLogP2.19
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.00
LogP ≤ 52.19
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

5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677795
6-iodo-3-nitro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134679606
2-[3-iodo-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678939
[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134678950
6-methyl-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134672820
ethyl 2-iodo-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666793
6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118803629
methyl 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682718
2-[5-methoxy-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670332
5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681405
3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine
CID 134678900
4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118799511

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 134664731) is 3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1nc([N+](=O)[O-])c(OC(F)(F)F)cc1I.
What is the InChIKey of 3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is QNRNKWFBOHMVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2O5/c8-7(9,10)18-3-1-2(11)4(6(14)15)12-5(3)13(16)17/h1H,(H,14,15).
What are the key properties of 3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 378.00 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 134664731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).