6-methyl-3-nitropyridin-1-ium-2-amine

C6H8N3O2+ — CID 7098726

IUPAC6-methyl-3-nitropyridin-1-ium-2-amine
SMILESCc1ccc([N+](=O)[O-])c(N)[nH+]1
InChIInChI=1S/C6H7N3O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3,(H2,7,8)/p+1
InChIKeyLCJXSRQGDONHRK-UHFFFAOYSA-O
MW154.15 g/mol
LogP0.30
Rot. Bonds1

About 6-methyl-3-nitropyridin-1-ium-2-amine

6-methyl-3-nitropyridin-1-ium-2-amine (PubChem CID 7098726) has the molecular formula C6H8N3O2+ and a molecular weight of 154.15 g/mol. Its IUPAC name is 6-methyl-3-nitropyridin-1-ium-2-amine.

Molecular Properties

Compound Name6-methyl-3-nitropyridin-1-ium-2-amine
PubChem CID7098726
Molecular FormulaC6H8N3O2+
Molecular Weight154.15 g/mol
Exact Mass154.06
IUPAC Name6-methyl-3-nitropyridin-1-ium-2-amine
SMILESCc1ccc([N+](=O)[O-])c(N)[nH+]1
InChIInChI=1S/C6H7N3O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3,(H2,7,8)/p+1
InChIKeyLCJXSRQGDONHRK-UHFFFAOYSA-O
XLogP0.30
TPSA83.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
6-methylpyridin-1-ium-2-amine;2-nitrophenolate
CID 134163486
2-amino-3-methyl-4-nitrophenol
CID 86240740
4-methyl-3,5-dinitroaniline
CID 29574
1-(2-amino-3-methyl-6-nitrophenyl)-2-chloroethanone
CID 171024047
6-methylpyridin-1-ium-2-amine;4-nitrophenolate
CID 134163520
3-amino-4-nitrophenol;ethane
CID 142035460
3-methyl-4-nitropyridin-2-amine
CID 19758038
hydrogen sulfate;tetrakis(3-nitropyridin-1-ium-2-amine)
CID 139064627
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
methyl 2-(2-amino-3-methyl-4-nitrophenyl)acetate
CID 171030711
3-N-methyl-4-nitrobenzene-1,3-diamine
CID 54558907

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitropyridin-1-ium-2-amine?
The IUPAC name of 6-methyl-3-nitropyridin-1-ium-2-amine (CID 7098726) is 6-methyl-3-nitropyridin-1-ium-2-amine.
What is the SMILES notation for 6-methyl-3-nitropyridin-1-ium-2-amine?
The canonical SMILES for 6-methyl-3-nitropyridin-1-ium-2-amine is Cc1ccc([N+](=O)[O-])c(N)[nH+]1.
What is the InChIKey of 6-methyl-3-nitropyridin-1-ium-2-amine?
The InChIKey is LCJXSRQGDONHRK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N3O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3,(H2,7,8)/p+1.
What are the key properties of 6-methyl-3-nitropyridin-1-ium-2-amine?
6-methyl-3-nitropyridin-1-ium-2-amine has a molecular weight of 154.15 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitropyridin-1-ium-2-amine is sourced from PubChem (CID 7098726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).