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

C7H3F4IN2O3 — CID 118848741

IUPAC2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1cnc(CF)c(I)c1OC(F)(F)F
InChIInChI=1S/C7H3F4IN2O3/c8-1-3-5(12)6(17-7(9,10)11)4(2-13-3)14(15)16/h2H,1H2
InChIKeyZTLPIXYRCQWOJG-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.96
Rot. Bonds3

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

2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine (PubChem CID 118848741) has the molecular formula C7H3F4IN2O3 and a molecular weight of 366.01 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine
PubChem CID118848741
Molecular FormulaC7H3F4IN2O3
Molecular Weight366.01 g/mol
Exact Mass365.91
IUPAC Name2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1cnc(CF)c(I)c1OC(F)(F)F
InChIInChI=1S/C7H3F4IN2O3/c8-1-3-5(12)6(17-7(9,10)11)4(2-13-3)14(15)16/h2H,1H2
InChIKeyZTLPIXYRCQWOJG-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': '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-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine
CID 118801353
2-(chloromethyl)-3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine
CID 118826839
2-iodo-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666765
2-[3-hydroxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134681270
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
CID 118826412
methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134677978
2-chloro-3-methyl-5-nitro-4-(trifluoromethoxy)pyridine
CID 119001829
6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118809518
2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 119006904
ethyl 3-methyl-5-nitro-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677650
2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118849000

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine (CID 118848741) is 2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine is O=[N+]([O-])c1cnc(CF)c(I)c1OC(F)(F)F.
What is the InChIKey of 2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine?
The InChIKey is ZTLPIXYRCQWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4IN2O3/c8-1-3-5(12)6(17-7(9,10)11)4(2-13-3)14(15)16/h2H,1H2.
What are the key properties of 2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine?
2-(fluoromethyl)-3-iodo-5-nitro-4-(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 2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118848741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).