6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol

C7H5ClF3NO2 — CID 23245144

IUPAC6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol
SMILESOc1ccc(Cl)nc1C(O)C(F)(F)F
InChIInChI=1S/C7H5ClF3NO2/c8-4-2-1-3(13)5(12-4)6(14)7(9,10)11/h1-2,6,13-14H
InChIKeyJCYXQXDEOWNEGI-UHFFFAOYSA-N
MW227.57 g/mol
LogP2.04
Rot. Bonds1

About 6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol

6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol (PubChem CID 23245144) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is 6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol
PubChem CID23245144
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol
SMILESOc1ccc(Cl)nc1C(O)C(F)(F)F
InChIInChI=1S/C7H5ClF3NO2/c8-4-2-1-3(13)5(12-4)6(14)7(9,10)11/h1-2,6,13-14H
InChIKeyJCYXQXDEOWNEGI-UHFFFAOYSA-N
XLogP2.04
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol
CID 129365898
3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170825064
(1S)-1-(3,6-dichloro-2-pyridinyl)-2,2,2-trifluoroethanamine
CID 131122521
(1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol
CID 129453199
(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol
CID 89034053
6-chloro-2-methylpyridin-3-ol;ethane
CID 144548355
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
2-chloro-5-fluoroquinolin-6-ol
CID 86698075
2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 83952334
6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol
CID 118493266
1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone
CID 119054405
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
The IUPAC name of 6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol (CID 23245144) is 6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol.
What is the SMILES notation for 6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
The canonical SMILES for 6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol is Oc1ccc(Cl)nc1C(O)C(F)(F)F.
What is the InChIKey of 6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
The InChIKey is JCYXQXDEOWNEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c8-4-2-1-3(13)5(12-4)6(14)7(9,10)11/h1-2,6,13-14H.
What are the key properties of 6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol?
6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol has a molecular weight of 227.57 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol is sourced from PubChem (CID 23245144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).