(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol

C10H15NO — CID 162467836

IUPAC(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
SMILESCC(C)[C@](C)(O)c1ccccn1
InChIInChI=1S/C10H15NO/c1-8(2)10(3,12)9-6-4-5-7-11-9/h4-8,12H,1-3H3/t10-/m0/s1
InChIKeyMAFSXOUQJZJNEC-JTQLQIEISA-N
MW165.24 g/mol
LogP1.95
Rot. Bonds2

About (2S)-3-methyl-2-pyridin-2-ylbutan-2-ol

(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol (PubChem CID 162467836) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-3-methyl-2-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
PubChem CID162467836
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
SMILESCC(C)[C@](C)(O)c1ccccn1
InChIInChI=1S/C10H15NO/c1-8(2)10(3,12)9-6-4-5-7-11-9/h4-8,12H,1-3H3/t10-/m0/s1
InChIKeyMAFSXOUQJZJNEC-JTQLQIEISA-N
XLogP1.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
CID 142343342
CID 162723245
CID 162723245
2-hydroxy-3-methyl-2-pyridin-2-ylbutanoic acid
CID 83698678
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
2-pyridin-2-ylbut-3-yn-2-ol
CID 16762502
2-tert-butylpyridine;ethane;methane
CID 143332153
dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,1-dipyridin-2-ylpropan-1-ol
CID 10970004
1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol
CID 153440698
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
5-methyl-3-pyridin-2-ylhexan-3-ol
CID 146396813

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-pyridin-2-ylbutan-2-ol?
The IUPAC name of (2S)-3-methyl-2-pyridin-2-ylbutan-2-ol (CID 162467836) is (2S)-3-methyl-2-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for (2S)-3-methyl-2-pyridin-2-ylbutan-2-ol?
The canonical SMILES for (2S)-3-methyl-2-pyridin-2-ylbutan-2-ol is CC(C)[C@](C)(O)c1ccccn1.
What is the InChIKey of (2S)-3-methyl-2-pyridin-2-ylbutan-2-ol?
The InChIKey is MAFSXOUQJZJNEC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)10(3,12)9-6-4-5-7-11-9/h4-8,12H,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-pyridin-2-ylbutan-2-ol?
(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 162467836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).