4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine

C6H4F2IN3O2 — CID 119004202

IUPAC4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
SMILESNc1nc([N+](=O)[O-])cc(C(F)F)c1I
InChIInChI=1S/C6H4F2IN3O2/c7-5(8)2-1-3(12(13)14)11-6(10)4(2)9/h1,5H,(H2,10,11)
InChIKeyZCYPCORZAVQHKQ-UHFFFAOYSA-N
MW315.02 g/mol
LogP2.11
Rot. Bonds2

About 4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine

4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine (PubChem CID 119004202) has the molecular formula C6H4F2IN3O2 and a molecular weight of 315.02 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
PubChem CID119004202
Molecular FormulaC6H4F2IN3O2
Molecular Weight315.02 g/mol
Exact Mass314.93
IUPAC Name4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
SMILESNc1nc([N+](=O)[O-])cc(C(F)F)c1I
InChIInChI=1S/C6H4F2IN3O2/c7-5(8)2-1-3(12(13)14)11-6(10)4(2)9/h1,5H,(H2,10,11)
InChIKeyZCYPCORZAVQHKQ-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

3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 134676856
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
methyl 2-amino-4-(difluoromethyl)-6-nitropyridine-3-carboxylate
CID 134663964
3-(difluoromethyl)-6-iodo-5-nitropyridin-2-amine
CID 118997575
[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine
CID 118814451
6-bromo-4-(difluoromethyl)-3-iodopyridin-2-amine
CID 119005201
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118991271

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine (CID 119004202) is 4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine is Nc1nc([N+](=O)[O-])cc(C(F)F)c1I.
What is the InChIKey of 4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine?
The InChIKey is ZCYPCORZAVQHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2IN3O2/c7-5(8)2-1-3(12(13)14)11-6(10)4(2)9/h1,5H,(H2,10,11).
What are the key properties of 4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine?
4-(difluoromethyl)-3-iodo-6-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 4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine is sourced from PubChem (CID 119004202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).