[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine

C7H6F2IN3O2 — CID 118817999

IUPAC[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)nc([N+](=O)[O-])c1I
InChIInChI=1S/C7H6F2IN3O2/c8-6(9)4-1-3(2-11)5(10)7(12-4)13(14)15/h1,6H,2,11H2
InChIKeyLIAVOFMHRIWKNF-UHFFFAOYSA-N
MW329.04 g/mol
LogP1.99
Rot. Bonds3

About [6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine

[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine (PubChem CID 118817999) has the molecular formula C7H6F2IN3O2 and a molecular weight of 329.04 g/mol. Its IUPAC name is [6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine
PubChem CID118817999
Molecular FormulaC7H6F2IN3O2
Molecular Weight329.04 g/mol
Exact Mass328.95
IUPAC Name[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)nc([N+](=O)[O-])c1I
InChIInChI=1S/C7H6F2IN3O2/c8-6(9)4-1-3(2-11)5(10)7(12-4)13(14)15/h1,6H,2,11H2
InChIKeyLIAVOFMHRIWKNF-UHFFFAOYSA-N
XLogP1.99
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.04
LogP ≤ 51.99
H-Bond Donors ≤ 51
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

[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
CID 130086516
3-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130086628
[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
CID 118852482
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
CID 130068220
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
CID 130099273
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
CID 130088256
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
methyl 2-[6-(difluoromethyl)-4-fluoro-2-nitro-3-pyridinyl]acetate
CID 133105138
[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol
CID 118814976
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine?
The IUPAC name of [6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine (CID 118817999) is [6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine.
What is the SMILES notation for [6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine?
The canonical SMILES for [6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine is NCc1cc(C(F)F)nc([N+](=O)[O-])c1I.
What is the InChIKey of [6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine?
The InChIKey is LIAVOFMHRIWKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2IN3O2/c8-6(9)4-1-3(2-11)5(10)7(12-4)13(14)15/h1,6H,2,11H2.
What are the key properties of [6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine?
[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine has a molecular weight of 329.04 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine is sourced from PubChem (CID 118817999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).