6-methyl-5-nitropyridine-2,3-diamine

C6H8N4O2 — CID 71811110

IUPAC6-methyl-5-nitropyridine-2,3-diamine
SMILESCc1nc(N)c(N)cc1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O2/c1-3-5(10(11)12)2-4(7)6(8)9-3/h2H,7H2,1H3,(H2,8,9)
InChIKeyJMGFXLGFIQDUTK-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.46
Rot. Bonds1

About 6-methyl-5-nitropyridine-2,3-diamine

6-methyl-5-nitropyridine-2,3-diamine (PubChem CID 71811110) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 6-methyl-5-nitropyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-5-nitropyridine-2,3-diamine
PubChem CID71811110
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name6-methyl-5-nitropyridine-2,3-diamine
SMILESCc1nc(N)c(N)cc1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O2/c1-3-5(10(11)12)2-4(7)6(8)9-3/h2H,7H2,1H3,(H2,8,9)
InChIKeyJMGFXLGFIQDUTK-UHFFFAOYSA-N
XLogP0.46
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.46
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

2-Amino-5-nitropyridine
CID 77888
N-(6-methylpyridin-2-yl)-N'-(2-nitrophenyl)urea
CID 24761410
2-Amino-6-methyl-3-nitropyridine
CID 226028
6-Methyl-5-nitropyridin-2-amine
CID 247976
2-Amino-3,5-dinitropyridine
CID 504340
3,5-Dinitropyridine-2,6-diamine
CID 542959
6-Chloro-3-nitropyridin-2-ylamine
CID 2724035
6-Nitro-2,5-pyridinediamine
CID 9815243
2,3,6-Triaminopyridine
CID 78015
Pyridine, 2-amino-6-chloro-5-nitro-
CID 3069277
2-Nitropyridin-3-amine
CID 83281
6-Methylpyridine-2,3-diamine
CID 2734420

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitropyridine-2,3-diamine?
The IUPAC name of 6-methyl-5-nitropyridine-2,3-diamine (CID 71811110) is 6-methyl-5-nitropyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-5-nitropyridine-2,3-diamine?
The canonical SMILES for 6-methyl-5-nitropyridine-2,3-diamine is Cc1nc(N)c(N)cc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitropyridine-2,3-diamine?
The InChIKey is JMGFXLGFIQDUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-3-5(10(11)12)2-4(7)6(8)9-3/h2H,7H2,1H3,(H2,8,9).
What are the key properties of 6-methyl-5-nitropyridine-2,3-diamine?
6-methyl-5-nitropyridine-2,3-diamine has a molecular weight of 168.16 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitropyridine-2,3-diamine is sourced from PubChem (CID 71811110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).