3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol

C15H25NO2 — CID 57068973

IUPAC3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol
SMILESCC(C)(C)C(O)(c1cccc(CO)n1)C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-13(2,3)15(18,14(4,5)6)12-9-7-8-11(10-17)16-12/h7-9,17-18H,10H2,1-6H3
InChIKeyWWBBHVFCDZSONO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds2

About 3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol

3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol (PubChem CID 57068973) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol.

Molecular Properties

Compound Name3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol
PubChem CID57068973
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol
SMILESCC(C)(C)C(O)(c1cccc(CO)n1)C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-13(2,3)15(18,14(4,5)6)12-9-7-8-11(10-17)16-12/h7-9,17-18H,10H2,1-6H3
InChIKeyWWBBHVFCDZSONO-UHFFFAOYSA-N
XLogP2.85
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol
CID 153457012
[6-(2-methylhexan-2-yl)-2-pyridinyl]methanol
CID 135272807
(6-ethyl-2-pyridinyl)methanol
CID 10749240
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
ethyl 4-[6-(hydroxymethyl)-2-pyridinyl]-4-methylpentanoate
CID 135255927
2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol
CID 155007002
[6-(4-tert-butylphenyl)-2-pyridinyl]methanol
CID 22566603
piperidine;[6-(trifluoromethyl)-2-pyridinyl]methanol
CID 177205207
3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol
CID 20709436
2,6-bis(bromomethyl)pyridine;[6-(hydroxymethyl)-2-pyridinyl]methanol
CID 158197144
[6-[(dimethylamino)methyl]-2-pyridinyl]methanol
CID 15592300

Frequently Asked Questions

What is the IUPAC name of 3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol?
The IUPAC name of 3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol (CID 57068973) is 3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol.
What is the SMILES notation for 3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol?
The canonical SMILES for 3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol is CC(C)(C)C(O)(c1cccc(CO)n1)C(C)(C)C.
What is the InChIKey of 3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol?
The InChIKey is WWBBHVFCDZSONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2,3)15(18,14(4,5)6)12-9-7-8-11(10-17)16-12/h7-9,17-18H,10H2,1-6H3.
What are the key properties of 3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol?
3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol is sourced from PubChem (CID 57068973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).