5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine

C7H5F2IN2O2 — CID 130085938

IUPAC5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
SMILESCc1nc([N+](=O)[O-])c(C(F)F)cc1I
InChIInChI=1S/C7H5F2IN2O2/c1-3-5(10)2-4(6(8)9)7(11-3)12(13)14/h2,6H,1H3
InChIKeyNIYJMXCNLYYGPA-UHFFFAOYSA-N
MW314.03 g/mol
LogP2.84
Rot. Bonds2

About 5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine

5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine (PubChem CID 130085938) has the molecular formula C7H5F2IN2O2 and a molecular weight of 314.03 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
PubChem CID130085938
Molecular FormulaC7H5F2IN2O2
Molecular Weight314.03 g/mol
Exact Mass313.94
IUPAC Name5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
SMILESCc1nc([N+](=O)[O-])c(C(F)F)cc1I
InChIInChI=1S/C7H5F2IN2O2/c1-3-5(10)2-4(6(8)9)7(11-3)12(13)14/h2,6H,1H3
InChIKeyNIYJMXCNLYYGPA-UHFFFAOYSA-N
XLogP2.84
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.03
LogP ≤ 52.84
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

5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
methyl 2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetate
CID 133101665
[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
CID 130086516
5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine
CID 130088240
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854
2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
CID 118997432
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde
CID 130086218
3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine
CID 163691344
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine?
The IUPAC name of 5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine (CID 130085938) is 5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine.
What is the SMILES notation for 5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine?
The canonical SMILES for 5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine is Cc1nc([N+](=O)[O-])c(C(F)F)cc1I.
What is the InChIKey of 5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine?
The InChIKey is NIYJMXCNLYYGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O2/c1-3-5(10)2-4(6(8)9)7(11-3)12(13)14/h2,6H,1H3.
What are the key properties of 5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine?
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine has a molecular weight of 314.03 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine is sourced from PubChem (CID 130085938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).