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

C7H8F2N4O2 — CID 119016926

IUPAC5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine
SMILESNCc1cnc(N)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H8F2N4O2/c8-6(9)4-3(1-10)2-12-7(11)5(4)13(14)15/h2,6H,1,10H2,(H2,11,12)
InChIKeyIUDRPVBJGQFOKY-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.97
Rot. Bonds3

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

5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine (PubChem CID 119016926) has the molecular formula C7H8F2N4O2 and a molecular weight of 218.16 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine
PubChem CID119016926
Molecular FormulaC7H8F2N4O2
Molecular Weight218.16 g/mol
Exact Mass218.06
IUPAC Name5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine
SMILESNCc1cnc(N)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H8F2N4O2/c8-6(9)4-3(1-10)2-12-7(11)5(4)13(14)15/h2,6H,1,10H2,(H2,11,12)
InChIKeyIUDRPVBJGQFOKY-UHFFFAOYSA-N
XLogP0.97
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(difluoromethyl)-6-fluoro-5-nitro-3-pyridinyl]methanamine
CID 130081363
2-[6-amino-4-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 119022096
[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
CID 130069724
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
CID 119007909
5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980
5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine
CID 130074711
5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridin-2-amine
CID 119000759
6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine
CID 119014709
2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
CID 134663951
[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118848230

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine (CID 119016926) is 5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine is NCc1cnc(N)c([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine?
The InChIKey is IUDRPVBJGQFOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O2/c8-6(9)4-3(1-10)2-12-7(11)5(4)13(14)15/h2,6H,1,10H2,(H2,11,12).
What are the key properties of 5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine?
5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine has a molecular weight of 218.16 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 119016926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).