1-tert-butyl-2H-pyridin-2-ol

C9H15NO — CID 139394358

IUPAC1-tert-butyl-2H-pyridin-2-ol
SMILESCC(C)(C)N1C=CC=CC1O
InChIInChI=1S/C9H15NO/c1-9(2,3)10-7-5-4-6-8(10)11/h4-8,11H,1-3H3
InChIKeyMCKJKDATPBJLFP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.49
Rot. Bonds

About 1-tert-butyl-2H-pyridin-2-ol

1-tert-butyl-2H-pyridin-2-ol (PubChem CID 139394358) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-tert-butyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name1-tert-butyl-2H-pyridin-2-ol
PubChem CID139394358
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-tert-butyl-2H-pyridin-2-ol
SMILESCC(C)(C)N1C=CC=CC1O
InChIInChI=1S/C9H15NO/c1-9(2,3)10-7-5-4-6-8(10)11/h4-8,11H,1-3H3
InChIKeyMCKJKDATPBJLFP-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-2H-pyridin-2-ol
CID 154218989
1-tert-butyl-2,5-dihydropyrrol-2-ol
CID 130435692
carbamic acid;1-nitroso-2H-pyridin-2-ol
CID 21121026
2-cyclopenta-2,4-dien-1-ylpropan-2-ol
CID 12574784
1-tert-butyl-2H-pyridine
CID 54401784
tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate
CID 167590283
1-tert-butyl-4-methylpyrrolidin-3-ol
CID 58311491
2-tert-butyl-4a,8a-dihydro-1H-isoquinoline
CID 21340845
N,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2H-pyridine-1-carboxamide
CID 22507079
tert-butyl N-(2-sulfanyl-2H-pyridin-1-yl)carbamate
CID 151561633
6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol
CID 69459384
(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
CID 11889808

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2H-pyridin-2-ol?
The IUPAC name of 1-tert-butyl-2H-pyridin-2-ol (CID 139394358) is 1-tert-butyl-2H-pyridin-2-ol.
What is the SMILES notation for 1-tert-butyl-2H-pyridin-2-ol?
The canonical SMILES for 1-tert-butyl-2H-pyridin-2-ol is CC(C)(C)N1C=CC=CC1O.
What is the InChIKey of 1-tert-butyl-2H-pyridin-2-ol?
The InChIKey is MCKJKDATPBJLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)10-7-5-4-6-8(10)11/h4-8,11H,1-3H3.
What are the key properties of 1-tert-butyl-2H-pyridin-2-ol?
1-tert-butyl-2H-pyridin-2-ol has a molecular weight of 153.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2H-pyridin-2-ol is sourced from PubChem (CID 139394358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).