6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine

C11H15F3N4O2 — CID 115523197

IUPAC6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCCCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2/c1-15-9-5-4-8(18(19)20)10(17-9)16-7-3-2-6-11(12,13)14/h4-5H,2-3,6-7H2,1H3,(H2,15,16,17)
InChIKeyNICWUGLMQFLJAW-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.18
Rot. Bonds7

About 6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine

6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine (PubChem CID 115523197) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine
PubChem CID115523197
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCCCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2/c1-15-9-5-4-8(18(19)20)10(17-9)16-7-3-2-6-11(12,13)14/h4-5H,2-3,6-7H2,1H3,(H2,15,16,17)
InChIKeyNICWUGLMQFLJAW-UHFFFAOYSA-N
XLogP3.18
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine
CID 107818912
6-N-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451
2-N-(2-cyclohexylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80791889
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541
3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol
CID 80850424
N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide
CID 80818699
2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80808353
6-N-methyl-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80853815
6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
CID 106219538

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine (CID 115523197) is 6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(NCCCCC(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine?
The InChIKey is NICWUGLMQFLJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-15-9-5-4-8(18(19)20)10(17-9)16-7-3-2-6-11(12,13)14/h4-5H,2-3,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine?
6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine has a molecular weight of 292.26 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine is sourced from PubChem (CID 115523197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).