5-iodo-4-nitro-2-(trifluoromethyl)pyridine

C6H2F3IN2O2 — CID 130782981

IUPAC5-iodo-4-nitro-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ncc1I
InChIInChI=1S/C6H2F3IN2O2/c7-6(8,9)5-1-4(12(13)14)3(10)2-11-5/h1-2H
InChIKeyYISMNUYXAMRLNC-UHFFFAOYSA-N
MW317.99 g/mol
LogP2.61
Rot. Bonds1

About 5-iodo-4-nitro-2-(trifluoromethyl)pyridine

5-iodo-4-nitro-2-(trifluoromethyl)pyridine (PubChem CID 130782981) has the molecular formula C6H2F3IN2O2 and a molecular weight of 317.99 g/mol. Its IUPAC name is 5-iodo-4-nitro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-iodo-4-nitro-2-(trifluoromethyl)pyridine
PubChem CID130782981
Molecular FormulaC6H2F3IN2O2
Molecular Weight317.99 g/mol
Exact Mass317.91
IUPAC Name5-iodo-4-nitro-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ncc1I
InChIInChI=1S/C6H2F3IN2O2/c7-6(8,9)5-1-4(12(13)14)3(10)2-11-5/h1-2H
InChIKeyYISMNUYXAMRLNC-UHFFFAOYSA-N
XLogP2.61
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.99
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
2-chloro-5-iodo-4-nitropyridine
CID 131211540
2-[4-nitro-6-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095862
5-(4-bromophenyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 155583552
2-iodo-1,3-dinitro-5-(trifluoromethyl)benzene
CID 141165200
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-amine
CID 106750124
1,1-difluoro-3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propan-2-ol
CID 106832583
5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130865841
2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propane-1,3-diol
CID 106749403
N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106748879
4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine
CID 86811579
1-iodo-2-methyl-3-nitro-5-(trifluoromethyl)benzene
CID 171016234

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-nitro-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-iodo-4-nitro-2-(trifluoromethyl)pyridine (CID 130782981) is 5-iodo-4-nitro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-iodo-4-nitro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-iodo-4-nitro-2-(trifluoromethyl)pyridine is O=[N+]([O-])c1cc(C(F)(F)F)ncc1I.
What is the InChIKey of 5-iodo-4-nitro-2-(trifluoromethyl)pyridine?
The InChIKey is YISMNUYXAMRLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3IN2O2/c7-6(8,9)5-1-4(12(13)14)3(10)2-11-5/h1-2H.
What are the key properties of 5-iodo-4-nitro-2-(trifluoromethyl)pyridine?
5-iodo-4-nitro-2-(trifluoromethyl)pyridine has a molecular weight of 317.99 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-nitro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 130782981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).