3-methyl-5-(2-nitrosopropan-2-yl)pyridine

C9H12N2O — CID 134423592

IUPAC3-methyl-5-(2-nitrosopropan-2-yl)pyridine
SMILESCc1cncc(C(C)(C)N=O)c1
InChIInChI=1S/C9H12N2O/c1-7-4-8(6-10-5-7)9(2,3)11-12/h4-6H,1-3H3
InChIKeyLLTAWDOMGXWVRK-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.39
Rot. Bonds2

About 3-methyl-5-(2-nitrosopropan-2-yl)pyridine

3-methyl-5-(2-nitrosopropan-2-yl)pyridine (PubChem CID 134423592) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-methyl-5-(2-nitrosopropan-2-yl)pyridine.

Molecular Properties

Compound Name3-methyl-5-(2-nitrosopropan-2-yl)pyridine
PubChem CID134423592
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-methyl-5-(2-nitrosopropan-2-yl)pyridine
SMILESCc1cncc(C(C)(C)N=O)c1
InChIInChI=1S/C9H12N2O/c1-7-4-8(6-10-5-7)9(2,3)11-12/h4-6H,1-3H3
InChIKeyLLTAWDOMGXWVRK-UHFFFAOYSA-N
XLogP2.39
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-nitrosopropan-2-yl)pyridine?
The IUPAC name of 3-methyl-5-(2-nitrosopropan-2-yl)pyridine (CID 134423592) is 3-methyl-5-(2-nitrosopropan-2-yl)pyridine.
What is the SMILES notation for 3-methyl-5-(2-nitrosopropan-2-yl)pyridine?
The canonical SMILES for 3-methyl-5-(2-nitrosopropan-2-yl)pyridine is Cc1cncc(C(C)(C)N=O)c1.
What is the InChIKey of 3-methyl-5-(2-nitrosopropan-2-yl)pyridine?
The InChIKey is LLTAWDOMGXWVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-8(6-10-5-7)9(2,3)11-12/h4-6H,1-3H3.
What are the key properties of 3-methyl-5-(2-nitrosopropan-2-yl)pyridine?
3-methyl-5-(2-nitrosopropan-2-yl)pyridine has a molecular weight of 164.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-nitrosopropan-2-yl)pyridine is sourced from PubChem (CID 134423592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).