5-methyl-2-nitrosopyridine

C6H6N2O — CID 45080021

IUPAC5-methyl-2-nitrosopyridine
SMILESCc1ccc(N=O)nc1
InChIInChI=1S/C6H6N2O/c1-5-2-3-6(8-9)7-4-5/h2-4H,1H3
InChIKeyLCGOJXIESDBWAY-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.79
Rot. Bonds1

About 5-methyl-2-nitrosopyridine

5-methyl-2-nitrosopyridine (PubChem CID 45080021) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 5-methyl-2-nitrosopyridine.

Molecular Properties

Compound Name5-methyl-2-nitrosopyridine
PubChem CID45080021
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name5-methyl-2-nitrosopyridine
SMILESCc1ccc(N=O)nc1
InChIInChI=1S/C6H6N2O/c1-5-2-3-6(8-9)7-4-5/h2-4H,1H3
InChIKeyLCGOJXIESDBWAY-UHFFFAOYSA-N
XLogP1.79
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-nitrosopyridine?
The IUPAC name of 5-methyl-2-nitrosopyridine (CID 45080021) is 5-methyl-2-nitrosopyridine.
What is the SMILES notation for 5-methyl-2-nitrosopyridine?
The canonical SMILES for 5-methyl-2-nitrosopyridine is Cc1ccc(N=O)nc1.
What is the InChIKey of 5-methyl-2-nitrosopyridine?
The InChIKey is LCGOJXIESDBWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-5-2-3-6(8-9)7-4-5/h2-4H,1H3.
What are the key properties of 5-methyl-2-nitrosopyridine?
5-methyl-2-nitrosopyridine has a molecular weight of 122.13 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nitrosopyridine is sourced from PubChem (CID 45080021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).