6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine

C12H15N5O2 — CID 158471946

IUPAC6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(N)n1.Cc1cccc(N)n1
InChIInChI=1S/C6H7N3O2.C6H8N2/c1-4-2-3-5(9(10)11)6(7)8-4;1-5-3-2-4-6(7)8-5/h2-3H,1H3,(H2,7,8);2-4H,1H3,(H2,7,8)
InChIKeyHGLLRKSQXBTKGW-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.85
Rot. Bonds1

About 6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine

6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine (PubChem CID 158471946) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine
PubChem CID158471946
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(N)n1.Cc1cccc(N)n1
InChIInChI=1S/C6H7N3O2.C6H8N2/c1-4-2-3-5(9(10)11)6(7)8-4;1-5-3-2-4-6(7)8-5/h2-3H,1H3,(H2,7,8);2-4H,1H3,(H2,7,8)
InChIKeyHGLLRKSQXBTKGW-UHFFFAOYSA-N
XLogP1.85
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
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

ethane;ethene;6-methylpyridin-2-amine
CID 143179196
O-(6-methyl-3-nitro-2-pyridinyl)hydroxylamine
CID 81137851
2-methyl-5-nitroquinolin-8-amine
CID 114289442
6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
CID 79815731
CID 157299402
CID 157299402
6-methylpyridin-2-amine;piperazine
CID 143304995
6-methyl-N-(2-nitrophenyl)pyridin-2-amine
CID 69251400
6-tert-butylsulfanyl-5-nitropyridin-2-amine
CID 80888606
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
CID 115503029
6-(4-methylphenyl)sulfanyl-3-nitropyridin-2-amine
CID 79016523
6-chloro-5-nitropyridin-2-amine
CID 3069277

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine?
The IUPAC name of 6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine (CID 158471946) is 6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine.
What is the SMILES notation for 6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine?
The canonical SMILES for 6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine is Cc1ccc([N+](=O)[O-])c(N)n1.Cc1cccc(N)n1.
What is the InChIKey of 6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine?
The InChIKey is HGLLRKSQXBTKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.C6H8N2/c1-4-2-3-5(9(10)11)6(7)8-4;1-5-3-2-4-6(7)8-5/h2-3H,1H3,(H2,7,8);2-4H,1H3,(H2,7,8).
What are the key properties of 6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine?
6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 158471946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).