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

C7H6F2IN3O2 — CID 130086516

IUPAC[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)c([N+](=O)[O-])nc1I
InChIInChI=1S/C7H6F2IN3O2/c8-5(9)4-1-3(2-11)6(10)12-7(4)13(14)15/h1,5H,2,11H2
InChIKeyQLQQPDNPOXICLD-UHFFFAOYSA-N
MW329.04 g/mol
LogP1.99
Rot. Bonds3

About [5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine

[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine (PubChem CID 130086516) has the molecular formula C7H6F2IN3O2 and a molecular weight of 329.04 g/mol. Its IUPAC name is [5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
PubChem CID130086516
Molecular FormulaC7H6F2IN3O2
Molecular Weight329.04 g/mol
Exact Mass328.95
IUPAC Name[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)c([N+](=O)[O-])nc1I
InChIInChI=1S/C7H6F2IN3O2/c8-5(9)4-1-3(2-11)6(10)12-7(4)13(14)15/h1,5H,2,11H2
InChIKeyQLQQPDNPOXICLD-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': '2-halo_pyridine', '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

5-(chloromethyl)-3-(difluoromethyl)-2-iodo-6-nitropyridine
CID 130086612
[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine
CID 118817999
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938
5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
CID 130077265
3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
CID 133101197
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
2-[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]acetic acid
CID 118835338
methyl 2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetate
CID 133101665
[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
CID 118808844
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866
3-(difluoromethyl)-6-iodo-5-nitropyridin-2-amine
CID 118997575

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine (CID 130086516) is [5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine is NCc1cc(C(F)F)c([N+](=O)[O-])nc1I.
What is the InChIKey of [5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine?
The InChIKey is QLQQPDNPOXICLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2IN3O2/c8-5(9)4-1-3(2-11)6(10)12-7(4)13(14)15/h1,5H,2,11H2.
What are the key properties of [5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine?
[5-(difluoromethyl)-2-iodo-6-nitro-3-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 [5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine is sourced from PubChem (CID 130086516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).