2-butan-2-yl-4-methyl-3-nitrosopyridine

C10H14N2O — CID 167079233

IUPAC2-butan-2-yl-4-methyl-3-nitrosopyridine
SMILESCCC(C)c1nccc(C)c1N=O
InChIInChI=1S/C10H14N2O/c1-4-7(2)9-10(12-13)8(3)5-6-11-9/h5-7H,4H2,1-3H3
InChIKeyTYQXGYCIBSIFNO-UHFFFAOYSA-N
MW178.24 g/mol
LogP3.30
Rot. Bonds3

About 2-butan-2-yl-4-methyl-3-nitrosopyridine

2-butan-2-yl-4-methyl-3-nitrosopyridine (PubChem CID 167079233) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-butan-2-yl-4-methyl-3-nitrosopyridine.

Molecular Properties

Compound Name2-butan-2-yl-4-methyl-3-nitrosopyridine
PubChem CID167079233
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-butan-2-yl-4-methyl-3-nitrosopyridine
SMILESCCC(C)c1nccc(C)c1N=O
InChIInChI=1S/C10H14N2O/c1-4-7(2)9-10(12-13)8(3)5-6-11-9/h5-7H,4H2,1-3H3
InChIKeyTYQXGYCIBSIFNO-UHFFFAOYSA-N
XLogP3.30
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane
CID 156733266
2-butan-2-yl-3-(4-methylphenyl)pyridine
CID 144506190
8-butan-2-ylimidazo[1,2-a]pyrazine;ethane
CID 178009513
3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine
CID 123872868
3-butan-2-yl-N-ethylpyrazin-2-amine
CID 112559319
1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride
CID 175402454
2-[(2S)-butan-2-yl]-4,5-dimethylpyridine
CID 163020641
6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane
CID 171630717
2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine
CID 166970309
2-butan-2-yl-3-(2-methoxyethoxy)pyridine
CID 176934117
4-butan-2-yl-2-chloropyrimidine
CID 44613886
2-butan-2-yl-3-propan-2-ylquinoxaline
CID 129014363

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-methyl-3-nitrosopyridine?
The IUPAC name of 2-butan-2-yl-4-methyl-3-nitrosopyridine (CID 167079233) is 2-butan-2-yl-4-methyl-3-nitrosopyridine.
What is the SMILES notation for 2-butan-2-yl-4-methyl-3-nitrosopyridine?
The canonical SMILES for 2-butan-2-yl-4-methyl-3-nitrosopyridine is CCC(C)c1nccc(C)c1N=O.
What is the InChIKey of 2-butan-2-yl-4-methyl-3-nitrosopyridine?
The InChIKey is TYQXGYCIBSIFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-7(2)9-10(12-13)8(3)5-6-11-9/h5-7H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-4-methyl-3-nitrosopyridine?
2-butan-2-yl-4-methyl-3-nitrosopyridine has a molecular weight of 178.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-methyl-3-nitrosopyridine is sourced from PubChem (CID 167079233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).