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

C7H5ClF3NO2 — CID 129365898

IUPAC2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol
SMILESOc1ccc([C@@H](O)C(F)(F)F)nc1Cl
InChIInChI=1S/C7H5ClF3NO2/c8-6-4(13)2-1-3(12-6)5(14)7(9,10)11/h1-2,5,13-14H/t5-/m1/s1
InChIKeyCKPRMYICFAOSPJ-RXMQYKEDSA-N
MW227.57 g/mol
LogP2.04
Rot. Bonds1

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

2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol (PubChem CID 129365898) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is 2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol.

Molecular Properties

Compound Name2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol
PubChem CID129365898
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol
SMILESOc1ccc([C@@H](O)C(F)(F)F)nc1Cl
InChIInChI=1S/C7H5ClF3NO2/c8-6-4(13)2-1-3(12-6)5(14)7(9,10)11/h1-2,5,13-14H/t5-/m1/s1
InChIKeyCKPRMYICFAOSPJ-RXMQYKEDSA-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol?
The IUPAC name of 2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol (CID 129365898) is 2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol.
What is the SMILES notation for 2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol?
The canonical SMILES for 2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol is Oc1ccc([C@@H](O)C(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol?
The InChIKey is CKPRMYICFAOSPJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c8-6-4(13)2-1-3(12-6)5(14)7(9,10)11/h1-2,5,13-14H/t5-/m1/s1.
What are the key properties of 2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol?
2-chloro-6-[(1R)-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 2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol is sourced from PubChem (CID 129365898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).