5-(difluoromethyl)-4-nitropyridine-2,3-diamine

C6H6F2N4O2 — CID 119023980

IUPAC5-(difluoromethyl)-4-nitropyridine-2,3-diamine
SMILESNc1ncc(C(F)F)c([N+](=O)[O-])c1N
InChIInChI=1S/C6H6F2N4O2/c7-5(8)2-1-11-6(10)3(9)4(2)12(13)14/h1,5H,9H2,(H2,10,11)
InChIKeyZTEZJGDQNAUJAF-UHFFFAOYSA-N
MW204.14 g/mol
LogP1.09
Rot. Bonds2

About 5-(difluoromethyl)-4-nitropyridine-2,3-diamine

5-(difluoromethyl)-4-nitropyridine-2,3-diamine (PubChem CID 119023980) has the molecular formula C6H6F2N4O2 and a molecular weight of 204.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-nitropyridine-2,3-diamine.

Molecular Properties

Compound Name5-(difluoromethyl)-4-nitropyridine-2,3-diamine
PubChem CID119023980
Molecular FormulaC6H6F2N4O2
Molecular Weight204.14 g/mol
Exact Mass204.05
IUPAC Name5-(difluoromethyl)-4-nitropyridine-2,3-diamine
SMILESNc1ncc(C(F)F)c([N+](=O)[O-])c1N
InChIInChI=1S/C6H6F2N4O2/c7-5(8)2-1-11-6(10)3(9)4(2)12(13)14/h1,5H,9H2,(H2,10,11)
InChIKeyZTEZJGDQNAUJAF-UHFFFAOYSA-N
XLogP1.09
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 51.09
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

2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
CID 134663951
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridin-2-amine
CID 119000759
6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
CID 119007909
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine
CID 130081364
5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol
CID 133102771
5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine
CID 119016926
3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
CID 133098943
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-nitropyridine-2,3-diamine?
The IUPAC name of 5-(difluoromethyl)-4-nitropyridine-2,3-diamine (CID 119023980) is 5-(difluoromethyl)-4-nitropyridine-2,3-diamine.
What is the SMILES notation for 5-(difluoromethyl)-4-nitropyridine-2,3-diamine?
The canonical SMILES for 5-(difluoromethyl)-4-nitropyridine-2,3-diamine is Nc1ncc(C(F)F)c([N+](=O)[O-])c1N.
What is the InChIKey of 5-(difluoromethyl)-4-nitropyridine-2,3-diamine?
The InChIKey is ZTEZJGDQNAUJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N4O2/c7-5(8)2-1-11-6(10)3(9)4(2)12(13)14/h1,5H,9H2,(H2,10,11).
What are the key properties of 5-(difluoromethyl)-4-nitropyridine-2,3-diamine?
5-(difluoromethyl)-4-nitropyridine-2,3-diamine has a molecular weight of 204.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-nitropyridine-2,3-diamine is sourced from PubChem (CID 119023980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).