(4-tert-butyl-2-pyridinyl)methanol

C10H15NO — CID 18799645

IUPAC(4-tert-butyl-2-pyridinyl)methanol
SMILESCC(C)(C)c1ccnc(CO)c1
InChIInChI=1S/C10H15NO/c1-10(2,3)8-4-5-11-9(6-8)7-12/h4-6,12H,7H2,1-3H3
InChIKeyAIOQNFLGOFMATK-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.87
Rot. Bonds1

About (4-tert-butyl-2-pyridinyl)methanol

(4-tert-butyl-2-pyridinyl)methanol (PubChem CID 18799645) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (4-tert-butyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-tert-butyl-2-pyridinyl)methanol
PubChem CID18799645
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(4-tert-butyl-2-pyridinyl)methanol
SMILESCC(C)(C)c1ccnc(CO)c1
InChIInChI=1S/C10H15NO/c1-10(2,3)8-4-5-11-9(6-8)7-12/h4-6,12H,7H2,1-3H3
InChIKeyAIOQNFLGOFMATK-UHFFFAOYSA-N
XLogP1.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-pyridinyl)methanol?
The IUPAC name of (4-tert-butyl-2-pyridinyl)methanol (CID 18799645) is (4-tert-butyl-2-pyridinyl)methanol.
What is the SMILES notation for (4-tert-butyl-2-pyridinyl)methanol?
The canonical SMILES for (4-tert-butyl-2-pyridinyl)methanol is CC(C)(C)c1ccnc(CO)c1.
What is the InChIKey of (4-tert-butyl-2-pyridinyl)methanol?
The InChIKey is AIOQNFLGOFMATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,3)8-4-5-11-9(6-8)7-12/h4-6,12H,7H2,1-3H3.
What are the key properties of (4-tert-butyl-2-pyridinyl)methanol?
(4-tert-butyl-2-pyridinyl)methanol has a molecular weight of 165.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-pyridinyl)methanol is sourced from PubChem (CID 18799645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).