4-nitro-6-propan-2-ylpyridin-2-amine

C8H11N3O2 — CID 21495074

IUPAC4-nitro-6-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C8H11N3O2/c1-5(2)7-3-6(11(12)13)4-8(9)10-7/h3-5H,1-2H3,(H2,9,10)
InChIKeySZODWGWKXHHVSP-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.70
Rot. Bonds2

About 4-nitro-6-propan-2-ylpyridin-2-amine

4-nitro-6-propan-2-ylpyridin-2-amine (PubChem CID 21495074) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-nitro-6-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-nitro-6-propan-2-ylpyridin-2-amine
PubChem CID21495074
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-nitro-6-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C8H11N3O2/c1-5(2)7-3-6(11(12)13)4-8(9)10-7/h3-5H,1-2H3,(H2,9,10)
InChIKeySZODWGWKXHHVSP-UHFFFAOYSA-N
XLogP1.70
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.70
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-N-ethyl-6-N-(2-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071217
3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 114071132
8-methyl-6-nitro-2-propan-2-ylquinoline-4-carboxylic acid
CID 82184097
6-(4-nitrophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966351
2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118831929
5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106163382
1,3-dimethyl-5-nitro-2-propan-2-ylbenzene
CID 58451641
6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine
CID 114071350
N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62192522
6-N-methyl-6-N-(2-methylsulfonylethyl)-4-nitropyridine-2,6-diamine
CID 114071220
3-[(6-amino-4-nitro-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114094074
6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine
CID 114121084

Frequently Asked Questions

What is the IUPAC name of 4-nitro-6-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-nitro-6-propan-2-ylpyridin-2-amine (CID 21495074) is 4-nitro-6-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-nitro-6-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-nitro-6-propan-2-ylpyridin-2-amine is CC(C)c1cc([N+](=O)[O-])cc(N)n1.
What is the InChIKey of 4-nitro-6-propan-2-ylpyridin-2-amine?
The InChIKey is SZODWGWKXHHVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(2)7-3-6(11(12)13)4-8(9)10-7/h3-5H,1-2H3,(H2,9,10).
What are the key properties of 4-nitro-6-propan-2-ylpyridin-2-amine?
4-nitro-6-propan-2-ylpyridin-2-amine has a molecular weight of 181.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-6-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 21495074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).