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

C6H4F2IN3O2 — CID 119018326

IUPAC3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
SMILESNc1nc([N+](=O)[O-])cc(I)c1C(F)F
InChIInChI=1S/C6H4F2IN3O2/c7-5(8)4-2(9)1-3(12(13)14)11-6(4)10/h1,5H,(H2,10,11)
InChIKeyTXKQJOHQDHHNKS-UHFFFAOYSA-N
MW315.02 g/mol
LogP2.11
Rot. Bonds2

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

3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine (PubChem CID 119018326) has the molecular formula C6H4F2IN3O2 and a molecular weight of 315.02 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
PubChem CID119018326
Molecular FormulaC6H4F2IN3O2
Molecular Weight315.02 g/mol
Exact Mass314.93
IUPAC Name3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
SMILESNc1nc([N+](=O)[O-])cc(I)c1C(F)F
InChIInChI=1S/C6H4F2IN3O2/c7-5(8)4-2(9)1-3(12(13)14)11-6(4)10/h1,5H,(H2,10,11)
InChIKeyTXKQJOHQDHHNKS-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

4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
CID 119004202
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
CID 130110794
4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118812167
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550
3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 134676856
6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130073042
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride
CID 118826585
3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride
CID 131451806
3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
CID 133098938

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine?
The IUPAC name of 3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine (CID 119018326) is 3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine.
What is the SMILES notation for 3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine?
The canonical SMILES for 3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine is Nc1nc([N+](=O)[O-])cc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine?
The InChIKey is TXKQJOHQDHHNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2IN3O2/c7-5(8)4-2(9)1-3(12(13)14)11-6(4)10/h1,5H,(H2,10,11).
What are the key properties of 3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine?
3-(difluoromethyl)-4-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 3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine is sourced from PubChem (CID 119018326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).