6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one

C12H13N5O5 — CID 160641556

IUPAC6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1[N+](=O)[O-].Cc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C6H7N3O2.C6H6N2O3/c1-4-5(9(10)11)2-3-6(7)8-4;1-4-5(8(10)11)2-3-6(9)7-4/h2-3H,1H3,(H2,7,8);2-3H,1H3,(H,7,9)
InChIKeyRJFYEBWIYKZECA-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.47
Rot. Bonds2

About 6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one

6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one (PubChem CID 160641556) has the molecular formula C12H13N5O5 and a molecular weight of 307.27 g/mol. Its IUPAC name is 6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one
PubChem CID160641556
Molecular FormulaC12H13N5O5
Molecular Weight307.27 g/mol
Exact Mass307.09
IUPAC Name6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1[N+](=O)[O-].Cc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C6H7N3O2.C6H6N2O3/c1-4-5(9(10)11)2-3-6(7)8-4;1-4-5(8(10)11)2-3-6(9)7-4/h2-3H,1H3,(H2,7,8);2-3H,1H3,(H,7,9)
InChIKeyRJFYEBWIYKZECA-UHFFFAOYSA-N
XLogP1.47
TPSA158.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-chloro-5-nitropyridin-2-amine
CID 3069277
6-tert-butylsulfanyl-5-nitropyridin-2-amine
CID 80888606
3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline
CID 155268546
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
4-methyl-5-nitro-1H-benzimidazol-2-amine
CID 18400140
6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine
CID 158471946
5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine
CID 80874556
3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169463871
5-amino-6-nitro-1H-pyridin-2-one
CID 13077419
5-nitro-6-pyridin-4-ylpyridin-2-amine
CID 13309018
2-N-(3-ethylpentan-2-yl)-3-nitropyridine-2,6-diamine
CID 80839068

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one?
The IUPAC name of 6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one (CID 160641556) is 6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one is Cc1[nH]c(=O)ccc1[N+](=O)[O-].Cc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one?
The InChIKey is RJFYEBWIYKZECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.C6H6N2O3/c1-4-5(9(10)11)2-3-6(7)8-4;1-4-5(8(10)11)2-3-6(9)7-4/h2-3H,1H3,(H2,7,8);2-3H,1H3,(H,7,9).
What are the key properties of 6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one?
6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one has a molecular weight of 307.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 160641556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).