5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine

C6H4F2IN3O2 — CID 130105226

IUPAC5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
SMILESNc1ncc(C(F)F)c(I)c1[N+](=O)[O-]
InChIInChI=1S/C6H4F2IN3O2/c7-5(8)2-1-11-6(10)4(3(2)9)12(13)14/h1,5H,(H2,10,11)
InChIKeyDKFIAJIJUODONH-UHFFFAOYSA-N
MW315.02 g/mol
LogP2.11
Rot. Bonds2

About 5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine

5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine (PubChem CID 130105226) has the molecular formula C6H4F2IN3O2 and a molecular weight of 315.02 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
PubChem CID130105226
Molecular FormulaC6H4F2IN3O2
Molecular Weight315.02 g/mol
Exact Mass314.93
IUPAC Name5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
SMILESNc1ncc(C(F)F)c(I)c1[N+](=O)[O-]
InChIInChI=1S/C6H4F2IN3O2/c7-5(8)2-1-11-6(10)4(3(2)9)12(13)14/h1,5H,(H2,10,11)
InChIKeyDKFIAJIJUODONH-UHFFFAOYSA-N
XLogP2.11
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.02
LogP ≤ 52.11
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)-4-nitropyridine-2,3-diamine
CID 119023980
5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridin-2-amine
CID 119000759
2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine
CID 130086547
3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179
5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine
CID 119016926
4-fluoro-5-iodo-3-nitropyridin-2-amine
CID 135394926
6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
CID 119007909
2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
CID 134663951
3-(difluoromethyl)-6-iodo-5-nitropyridin-2-amine
CID 118997575
methyl 2-[5-(difluoromethyl)-4-iodo-3-nitro-2-pyridinyl]acetate
CID 133101664
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
CID 119004202

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine?
The IUPAC name of 5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine (CID 130105226) is 5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine?
The canonical SMILES for 5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine is Nc1ncc(C(F)F)c(I)c1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine?
The InChIKey is DKFIAJIJUODONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2IN3O2/c7-5(8)2-1-11-6(10)4(3(2)9)12(13)14/h1,5H,(H2,10,11).
What are the key properties of 5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine?
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine has a molecular weight of 315.02 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine is sourced from PubChem (CID 130105226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).