6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol

C7H4ClF4NO — CID 167738900

IUPAC6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol
SMILESOc1ccc(C(F)(F)C(F)(F)Cl)nc1
InChIInChI=1S/C7H4ClF4NO/c8-7(11,12)6(9,10)5-2-1-4(14)3-13-5/h1-3,14H
InChIKeyBLMZFYVXLNADJG-UHFFFAOYSA-N
MW229.56 g/mol
LogP2.71
Rot. Bonds2

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

6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol (PubChem CID 167738900) has the molecular formula C7H4ClF4NO and a molecular weight of 229.56 g/mol. Its IUPAC name is 6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol
PubChem CID167738900
Molecular FormulaC7H4ClF4NO
Molecular Weight229.56 g/mol
Exact Mass228.99
IUPAC Name6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol
SMILESOc1ccc(C(F)(F)C(F)(F)Cl)nc1
InChIInChI=1S/C7H4ClF4NO/c8-7(11,12)6(9,10)5-2-1-4(14)3-13-5/h1-3,14H
InChIKeyBLMZFYVXLNADJG-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.56
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol?
The IUPAC name of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol (CID 167738900) is 6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol.
What is the SMILES notation for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol?
The canonical SMILES for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol is Oc1ccc(C(F)(F)C(F)(F)Cl)nc1.
What is the InChIKey of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol?
The InChIKey is BLMZFYVXLNADJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4NO/c8-7(11,12)6(9,10)5-2-1-4(14)3-13-5/h1-3,14H.
What are the key properties of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol?
6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol has a molecular weight of 229.56 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol is sourced from PubChem (CID 167738900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).