3,5-dinitro-N-propan-2-ylpyridin-2-amine

C8H10N4O4 — CID 162519856

IUPAC3,5-dinitro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O4/c1-5(2)10-8-7(12(15)16)3-6(4-9-8)11(13)14/h3-5H,1-2H3,(H,9,10)
InChIKeyNCUOPOCLOBBXOF-UHFFFAOYSA-N
MW226.19 g/mol
LogP1.72
Rot. Bonds4

About 3,5-dinitro-N-propan-2-ylpyridin-2-amine

3,5-dinitro-N-propan-2-ylpyridin-2-amine (PubChem CID 162519856) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 3,5-dinitro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dinitro-N-propan-2-ylpyridin-2-amine
PubChem CID162519856
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name3,5-dinitro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O4/c1-5(2)10-8-7(12(15)16)3-6(4-9-8)11(13)14/h3-5H,1-2H3,(H,9,10)
InChIKeyNCUOPOCLOBBXOF-UHFFFAOYSA-N
XLogP1.72
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3,5-dinitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 91983831
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
N-(3,5-dimethylphenyl)-3,5-dinitropyridin-2-amine
CID 2858015
(2S)-2-[(3,5-dinitro-2-pyridinyl)amino]butanedioic acid
CID 22213334
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620
N-(4-tert-butylphenyl)-3,5-dinitropyridin-2-amine
CID 87349158
3,5-dinitro-N-octadecylpyridin-2-amine
CID 22155759
N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
CID 22181365
N-(3,3-dimethylbutan-2-yl)-3-methyl-5-nitropyridin-2-amine
CID 113457884
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
5-bromo-3-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 94190114
N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine
CID 2837278

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3,5-dinitro-N-propan-2-ylpyridin-2-amine (CID 162519856) is 3,5-dinitro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3,5-dinitro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3,5-dinitro-N-propan-2-ylpyridin-2-amine is CC(C)Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 3,5-dinitro-N-propan-2-ylpyridin-2-amine?
The InChIKey is NCUOPOCLOBBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-5(2)10-8-7(12(15)16)3-6(4-9-8)11(13)14/h3-5H,1-2H3,(H,9,10).
What are the key properties of 3,5-dinitro-N-propan-2-ylpyridin-2-amine?
3,5-dinitro-N-propan-2-ylpyridin-2-amine has a molecular weight of 226.19 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 162519856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).