5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride

C7H2ClF2IN2O3 — CID 133100866

IUPAC5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc([N+](=O)[O-])c(C(F)F)cc1I
InChIInChI=1S/C7H2ClF2IN2O3/c8-5(14)4-3(11)1-2(6(9)10)7(12-4)13(15)16/h1,6H
InChIKeyRKWIVYTWNIAPLO-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.91
Rot. Bonds3

About 5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride

5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride (PubChem CID 133100866) has the molecular formula C7H2ClF2IN2O3 and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
PubChem CID133100866
Molecular FormulaC7H2ClF2IN2O3
Molecular Weight362.46 g/mol
Exact Mass361.88
IUPAC Name5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc([N+](=O)[O-])c(C(F)F)cc1I
InChIInChI=1S/C7H2ClF2IN2O3/c8-5(14)4-3(11)1-2(6(9)10)7(12-4)13(15)16/h1,6H
InChIKeyRKWIVYTWNIAPLO-UHFFFAOYSA-N
XLogP2.91
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979
5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134683686
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
methyl 2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetate
CID 133101665
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 130068522
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854
ethyl 3-chloro-5-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134661789
5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677795

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride (CID 133100866) is 5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride is O=C(Cl)c1nc([N+](=O)[O-])c(C(F)F)cc1I.
What is the InChIKey of 5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride?
The InChIKey is RKWIVYTWNIAPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2IN2O3/c8-5(14)4-3(11)1-2(6(9)10)7(12-4)13(15)16/h1,6H.
What are the key properties of 5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride?
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride has a molecular weight of 362.46 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride is sourced from PubChem (CID 133100866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).