(2,5-ditert-butyl-3-pyridinyl)methanol

C14H23NO — CID 153429822

IUPAC(2,5-ditert-butyl-3-pyridinyl)methanol
SMILESCC(C)(C)c1cnc(C(C)(C)C)c(CO)c1
InChIInChI=1S/C14H23NO/c1-13(2,3)11-7-10(9-16)12(15-8-11)14(4,5)6/h7-8,16H,9H2,1-6H3
InChIKeyPWYDLNQGJDHFQL-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.17
Rot. Bonds1

About (2,5-ditert-butyl-3-pyridinyl)methanol

(2,5-ditert-butyl-3-pyridinyl)methanol (PubChem CID 153429822) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2,5-ditert-butyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2,5-ditert-butyl-3-pyridinyl)methanol
PubChem CID153429822
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2,5-ditert-butyl-3-pyridinyl)methanol
SMILESCC(C)(C)c1cnc(C(C)(C)C)c(CO)c1
InChIInChI=1S/C14H23NO/c1-13(2,3)11-7-10(9-16)12(15-8-11)14(4,5)6/h7-8,16H,9H2,1-6H3
InChIKeyPWYDLNQGJDHFQL-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]propan-2-ol
CID 169081801
[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118989405
1-(5-tert-butylpyrimidin-2-yl)propan-2-one
CID 165372273
(2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol
CID 130154047
2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine
CID 155296746
2-tert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(hydroxymethyl)phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 10811012
[5-(2-methylpentan-2-yl)pyrimidin-2-yl]methanol
CID 155370656
3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile
CID 59589297
[5-tert-butyl-2-chloro-3-(hydroxymethyl)phenyl]boronic acid
CID 164894036
(2-tert-butyl-3,5-difluorophenyl)methanol
CID 166835720
(4-tert-butyl-1H-imidazol-5-yl)methanol
CID 22055226
(4-tert-butyl-2-pyridinyl)methanol
CID 18799645

Frequently Asked Questions

What is the IUPAC name of (2,5-ditert-butyl-3-pyridinyl)methanol?
The IUPAC name of (2,5-ditert-butyl-3-pyridinyl)methanol (CID 153429822) is (2,5-ditert-butyl-3-pyridinyl)methanol.
What is the SMILES notation for (2,5-ditert-butyl-3-pyridinyl)methanol?
The canonical SMILES for (2,5-ditert-butyl-3-pyridinyl)methanol is CC(C)(C)c1cnc(C(C)(C)C)c(CO)c1.
What is the InChIKey of (2,5-ditert-butyl-3-pyridinyl)methanol?
The InChIKey is PWYDLNQGJDHFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2,3)11-7-10(9-16)12(15-8-11)14(4,5)6/h7-8,16H,9H2,1-6H3.
What are the key properties of (2,5-ditert-butyl-3-pyridinyl)methanol?
(2,5-ditert-butyl-3-pyridinyl)methanol has a molecular weight of 221.34 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-ditert-butyl-3-pyridinyl)methanol is sourced from PubChem (CID 153429822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).