6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol

C11H14ClNO — CID 118493266

IUPAC6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol
SMILESC=C(c1nc(Cl)ccc1O)C(C)(C)C
InChIInChI=1S/C11H14ClNO/c1-7(11(2,3)4)10-8(14)5-6-9(12)13-10/h5-6,14H,1H2,2-4H3
InChIKeyPGSOXMCCLYJISF-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.50
Rot. Bonds1

About 6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol

6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol (PubChem CID 118493266) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol
PubChem CID118493266
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol
SMILESC=C(c1nc(Cl)ccc1O)C(C)(C)C
InChIInChI=1S/C11H14ClNO/c1-7(11(2,3)4)10-8(14)5-6-9(12)13-10/h5-6,14H,1H2,2-4H3
InChIKeyPGSOXMCCLYJISF-UHFFFAOYSA-N
XLogP3.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-ethyl-3-hydroxypyridine
CID 114681
2,6-Dimethyl-3-pyridinol
CID 70732
6-Methyl-2-ethyl-3-hydroxypyridine hydrochloride
CID 128852
2,6-Diethyl-4-methylpyridin-3-ol
CID 910447
6-Methyl-2-(2-phenylethyl)pyridin-3-ol
CID 770061
2-tert-Butyl-6-methyl-3-hydroxypyridine
CID 173957
6-Methyl-2-(2-methylpropyl)pyridin-3-ol
CID 659241
2-Methyl-6-ethyl-3-hydroxypyridine
CID 170653
2-Chloro-6-methylpyridin-3-ol
CID 3015797
6-Chloro-2-methylpyridin-3-ol
CID 45079699
2-Pyridinecarbonitrile, 6-chloro-3-hydroxy-
CID 57633427
2-Chloro-6-(trifluoromethyl)pyridin-3-ol
CID 85983245

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol?
The IUPAC name of 6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol (CID 118493266) is 6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol.
What is the SMILES notation for 6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol?
The canonical SMILES for 6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol is C=C(c1nc(Cl)ccc1O)C(C)(C)C.
What is the InChIKey of 6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol?
The InChIKey is PGSOXMCCLYJISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7(11(2,3)4)10-8(14)5-6-9(12)13-10/h5-6,14H,1H2,2-4H3.
What are the key properties of 6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol?
6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol has a molecular weight of 211.69 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol is sourced from PubChem (CID 118493266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).