(6-tert-butyl-3-methyl-2-pyridinyl)methanol

C11H17NO — CID 157353161

IUPAC(6-tert-butyl-3-methyl-2-pyridinyl)methanol
SMILESCc1ccc(C(C)(C)C)nc1CO
InChIInChI=1S/C11H17NO/c1-8-5-6-10(11(2,3)4)12-9(8)7-13/h5-6,13H,7H2,1-4H3
InChIKeyUIXZGRMFQKUSDJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.18
Rot. Bonds1

About (6-tert-butyl-3-methyl-2-pyridinyl)methanol

(6-tert-butyl-3-methyl-2-pyridinyl)methanol (PubChem CID 157353161) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (6-tert-butyl-3-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(6-tert-butyl-3-methyl-2-pyridinyl)methanol
PubChem CID157353161
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(6-tert-butyl-3-methyl-2-pyridinyl)methanol
SMILESCc1ccc(C(C)(C)C)nc1CO
InChIInChI=1S/C11H17NO/c1-8-5-6-10(11(2,3)4)12-9(8)7-13/h5-6,13H,7H2,1-4H3
InChIKeyUIXZGRMFQKUSDJ-UHFFFAOYSA-N
XLogP2.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-3-methyl-2-pyridinyl)methanol?
The IUPAC name of (6-tert-butyl-3-methyl-2-pyridinyl)methanol (CID 157353161) is (6-tert-butyl-3-methyl-2-pyridinyl)methanol.
What is the SMILES notation for (6-tert-butyl-3-methyl-2-pyridinyl)methanol?
The canonical SMILES for (6-tert-butyl-3-methyl-2-pyridinyl)methanol is Cc1ccc(C(C)(C)C)nc1CO.
What is the InChIKey of (6-tert-butyl-3-methyl-2-pyridinyl)methanol?
The InChIKey is UIXZGRMFQKUSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-6-10(11(2,3)4)12-9(8)7-13/h5-6,13H,7H2,1-4H3.
What are the key properties of (6-tert-butyl-3-methyl-2-pyridinyl)methanol?
(6-tert-butyl-3-methyl-2-pyridinyl)methanol has a molecular weight of 179.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 157353161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).