4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine

C7H3F4IN2O3 — CID 118801353

IUPAC4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1cnc(I)c(OC(F)(F)F)c1CF
InChIInChI=1S/C7H3F4IN2O3/c8-1-3-4(14(15)16)2-13-6(12)5(3)17-7(9,10)11/h2H,1H2
InChIKeyHLVFUOBVVIGXGU-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.96
Rot. Bonds3

About 4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine

4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine (PubChem CID 118801353) has the molecular formula C7H3F4IN2O3 and a molecular weight of 366.01 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine
PubChem CID118801353
Molecular FormulaC7H3F4IN2O3
Molecular Weight366.01 g/mol
Exact Mass365.91
IUPAC Name4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1cnc(I)c(OC(F)(F)F)c1CF
InChIInChI=1S/C7H3F4IN2O3/c8-1-3-4(14(15)16)2-13-6(12)5(3)17-7(9,10)11/h2H,1H2
InChIKeyHLVFUOBVVIGXGU-UHFFFAOYSA-N
XLogP2.96
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine
CID 118848741
2-iodo-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666765
4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118801343
6-iodo-4-nitro-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679605
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134666863
ethyl 2-[2-methyl-5-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134671389
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
CID 118850927
2-(fluoromethyl)-1-nitro-3-(trifluoromethoxy)benzene
CID 170837030
2-chloro-3-methyl-5-nitro-4-(trifluoromethoxy)pyridine
CID 119001829
2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 119006904
ethyl 2-methyl-5-nitro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134662340

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine (CID 118801353) is 4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine is O=[N+]([O-])c1cnc(I)c(OC(F)(F)F)c1CF.
What is the InChIKey of 4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine?
The InChIKey is HLVFUOBVVIGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4IN2O3/c8-1-3-4(14(15)16)2-13-6(12)5(3)17-7(9,10)11/h2H,1H2.
What are the key properties of 4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine?
4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine has a molecular weight of 366.01 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118801353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).