6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine

C10H11F3N4O2 — CID 106219538

IUPAC6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H11F3N4O2/c1-14-7-3-2-6(17(18)19)8(15-7)16-9(4-5-9)10(11,12)13/h2-3H,4-5H2,1H3,(H2,14,15,16)
InChIKeyYIVUFXGQJOGQHI-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.54
Rot. Bonds4

About 6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine

6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine (PubChem CID 106219538) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
PubChem CID106219538
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H11F3N4O2/c1-14-7-3-2-6(17(18)19)8(15-7)16-9(4-5-9)10(11,12)13/h2-3H,4-5H2,1H3,(H2,14,15,16)
InChIKeyYIVUFXGQJOGQHI-UHFFFAOYSA-N
XLogP2.54
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.54
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

3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
CID 114159816
[4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol
CID 80803369
5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106215072
6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine
CID 115523197
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80760716
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol
CID 80827369
2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107165493
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256
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
2-N-(5-chloro-2-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80780190

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine (CID 106219538) is 6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine?
The InChIKey is YIVUFXGQJOGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-14-7-3-2-6(17(18)19)8(15-7)16-9(4-5-9)10(11,12)13/h2-3H,4-5H2,1H3,(H2,14,15,16).
What are the key properties of 6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine?
6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine has a molecular weight of 276.22 g/mol, XLogP of 2.54, 4 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-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine is sourced from PubChem (CID 106219538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).