3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol

C12H19NO2 — CID 20709436

IUPAC3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol
SMILESCC(C)(C)c1cccc(CC(O)CO)n1
InChIInChI=1S/C12H19NO2/c1-12(2,3)11-6-4-5-9(13-11)7-10(15)8-14/h4-6,10,14-15H,7-8H2,1-3H3
InChIKeySLNFWFZPVNYKFC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.27
Rot. Bonds3

About 3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol

3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol (PubChem CID 20709436) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol
PubChem CID20709436
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol
SMILESCC(C)(C)c1cccc(CC(O)CO)n1
InChIInChI=1S/C12H19NO2/c1-12(2,3)11-6-4-5-9(13-11)7-10(15)8-14/h4-6,10,14-15H,7-8H2,1-3H3
InChIKeySLNFWFZPVNYKFC-UHFFFAOYSA-N
XLogP1.27
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(pyridin-2-ylmethyl)amino]-3-[(6-tert-butyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-2-ol
CID 138529927
3-(7-iminoazepin-2-yl)propane-1,2-diol
CID 18428503
methyl 2-(6-tert-butyl-2-pyridinyl)acetate
CID 176631988
3-[6-(hydroxymethyl)-2-pyridinyl]-2,2,4,4-tetramethylpentan-3-ol
CID 57068973
1-(6-methyl-2-pyridinyl)butan-2-ol
CID 63200949
[6-(2-methylhexan-2-yl)-2-pyridinyl]methanol
CID 135272807
2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709426
(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol
CID 155154303
(2S)-1,1,1-trifluoro-2-[6-(hydroxymethyl)-2-pyridinyl]propan-2-ol
CID 153457012
3-[[6-(propylamino)-2-pyridinyl]methylsulfanyl]propane-1,2-diol
CID 79671978
2-tert-butyl-6-(2-iodopropan-2-yl)pyridine
CID 137391001
3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride
CID 70154974

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol (CID 20709436) is 3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol is CC(C)(C)c1cccc(CC(O)CO)n1.
What is the InChIKey of 3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol?
The InChIKey is SLNFWFZPVNYKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)11-6-4-5-9(13-11)7-10(15)8-14/h4-6,10,14-15H,7-8H2,1-3H3.
What are the key properties of 3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol?
3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol has a molecular weight of 209.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 20709436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).