6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine

C9H13N3O2 — CID 81138782

IUPAC6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NC(C)C)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)10-9-8(12(13)14)5-4-7(3)11-9/h4-6H,1-3H3,(H,10,11)
InChIKeyJQBAJMGOSYLKML-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.12
Rot. Bonds3

About 6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine

6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine (PubChem CID 81138782) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
PubChem CID81138782
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NC(C)C)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)10-9-8(12(13)14)5-4-7(3)11-9/h4-6H,1-3H3,(H,10,11)
InChIKeyJQBAJMGOSYLKML-UHFFFAOYSA-N
XLogP2.12
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide
CID 81139032
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81138254
2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid
CID 81139931
6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
CID 81333831
2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 81139120
6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 113260898
N-(2,6-dimethylpiperidin-1-yl)-6-methyl-3-nitropyridin-2-amine
CID 83026617
N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine
CID 81135916
1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
CID 81135844

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine (CID 81138782) is 6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NC(C)C)n1.
What is the InChIKey of 6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine?
The InChIKey is JQBAJMGOSYLKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)10-9-8(12(13)14)5-4-7(3)11-9/h4-6H,1-3H3,(H,10,11).
What are the key properties of 6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine?
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine has a molecular weight of 195.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 81138782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).