ethane;2-methyl-5-nitropyridine

C8H12N2O2 — CID 123657002

IUPACethane;2-methyl-5-nitropyridine
SMILESCC.Cc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C6H6N2O2.C2H6/c1-5-2-3-6(4-7-5)8(9)10;1-2/h2-4H,1H3;1-2H3
InChIKeyOTHDKIJKZDAWJC-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.32
Rot. Bonds1

About ethane;2-methyl-5-nitropyridine

ethane;2-methyl-5-nitropyridine (PubChem CID 123657002) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is ethane;2-methyl-5-nitropyridine.

Molecular Properties

Compound Nameethane;2-methyl-5-nitropyridine
PubChem CID123657002
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameethane;2-methyl-5-nitropyridine
SMILESCC.Cc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C6H6N2O2.C2H6/c1-5-2-3-6(4-7-5)8(9)10;1-2/h2-4H,1H3;1-2H3
InChIKeyOTHDKIJKZDAWJC-UHFFFAOYSA-N
XLogP2.32
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
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

azane;2-methyl-5-nitropyridine;penta-2,4-diynoic acid
CID 162052740
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
methyl-[1-(6-methyl-3-pyridinyl)ethyl]-[(5-nitro-2-pyridinyl)imino]-oxo-λ6-sulfane
CID 89368761
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 62995614
2-(6-methyl-3-pyridinyl)-5-nitrobenzonitrile
CID 170434271
methane;5-nitropyridin-2-amine
CID 174857781
2-(2-chloropropyl)-5-nitropyridine
CID 63205077
N-methyl-1-(5-nitro-2-pyridinyl)methanamine
CID 144940815
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
2-(4-methylphenyl)sulfanyl-5-nitropyridine
CID 2800116
5-bromo-2-methylpyridine;2,4,6-trinitrophenol
CID 122359895
5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine
CID 162519959

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-nitropyridine?
The IUPAC name of ethane;2-methyl-5-nitropyridine (CID 123657002) is ethane;2-methyl-5-nitropyridine.
What is the SMILES notation for ethane;2-methyl-5-nitropyridine?
The canonical SMILES for ethane;2-methyl-5-nitropyridine is CC.Cc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of ethane;2-methyl-5-nitropyridine?
The InChIKey is OTHDKIJKZDAWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.C2H6/c1-5-2-3-6(4-7-5)8(9)10;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5-nitropyridine?
ethane;2-methyl-5-nitropyridine has a molecular weight of 168.20 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-nitropyridine is sourced from PubChem (CID 123657002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).