6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride

C7HClF3IN2O4 — CID 134660245

IUPAC6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(I)cc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7HClF3IN2O4/c8-6(15)4-5(18-7(9,10)11)2(14(16)17)1-3(12)13-4/h1H
InChIKeyUPNJZTFWHLTFFD-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.87
Rot. Bonds3

About 6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride

6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (PubChem CID 134660245) has the molecular formula C7HClF3IN2O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
PubChem CID134660245
Molecular FormulaC7HClF3IN2O4
Molecular Weight396.45 g/mol
Exact Mass395.86
IUPAC Name6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(I)cc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7HClF3IN2O4/c8-6(15)4-5(18-7(9,10)11)2(14(16)17)1-3(12)13-4/h1H
InChIKeyUPNJZTFWHLTFFD-UHFFFAOYSA-N
XLogP2.87
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', '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

6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669754
4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118818087
5-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 118801627
6-iodo-3-nitro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134679606
4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118827397
2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
CID 118826412
methyl 2-[6-iodo-4-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665848
3-chloro-5-nitro-4-(trifluoromethoxy)benzoic acid
CID 121234311
4,8-dinitronaphthalene-2,6-dicarbonyl chloride
CID 10688710
ethyl 2-[6-iodo-4-nitro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664758
6-iodo-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134680699
6-bromo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096300

Frequently Asked Questions

What is the IUPAC name of 6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (CID 134660245) is 6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is O=C(Cl)c1nc(I)cc([N+](=O)[O-])c1OC(F)(F)F.
What is the InChIKey of 6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The InChIKey is UPNJZTFWHLTFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HClF3IN2O4/c8-6(15)4-5(18-7(9,10)11)2(14(16)17)1-3(12)13-4/h1H.
What are the key properties of 6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride has a molecular weight of 396.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 134660245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).