5,7,8-trifluoroquinolin-3-ol

C9H4F3NO — CID 107447186

IUPAC5,7,8-trifluoroquinolin-3-ol
SMILESOc1cnc2c(F)c(F)cc(F)c2c1
InChIInChI=1S/C9H4F3NO/c10-6-2-7(11)8(12)9-5(6)1-4(14)3-13-9/h1-3,14H
InChIKeyBVPQYEUPWHXRPC-UHFFFAOYSA-N
MW199.13 g/mol
LogP2.36
Rot. Bonds

About 5,7,8-trifluoroquinolin-3-ol

5,7,8-trifluoroquinolin-3-ol (PubChem CID 107447186) has the molecular formula C9H4F3NO and a molecular weight of 199.13 g/mol. Its IUPAC name is 5,7,8-trifluoroquinolin-3-ol.

Molecular Properties

Compound Name5,7,8-trifluoroquinolin-3-ol
PubChem CID107447186
Molecular FormulaC9H4F3NO
Molecular Weight199.13 g/mol
Exact Mass199.02
IUPAC Name5,7,8-trifluoroquinolin-3-ol
SMILESOc1cnc2c(F)c(F)cc(F)c2c1
InChIInChI=1S/C9H4F3NO/c10-6-2-7(11)8(12)9-5(6)1-4(14)3-13-9/h1-3,14H
InChIKeyBVPQYEUPWHXRPC-UHFFFAOYSA-N
XLogP2.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trifluoroquinolin-3-ol?
The IUPAC name of 5,7,8-trifluoroquinolin-3-ol (CID 107447186) is 5,7,8-trifluoroquinolin-3-ol.
What is the SMILES notation for 5,7,8-trifluoroquinolin-3-ol?
The canonical SMILES for 5,7,8-trifluoroquinolin-3-ol is Oc1cnc2c(F)c(F)cc(F)c2c1.
What is the InChIKey of 5,7,8-trifluoroquinolin-3-ol?
The InChIKey is BVPQYEUPWHXRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO/c10-6-2-7(11)8(12)9-5(6)1-4(14)3-13-9/h1-3,14H.
What are the key properties of 5,7,8-trifluoroquinolin-3-ol?
5,7,8-trifluoroquinolin-3-ol has a molecular weight of 199.13 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trifluoroquinolin-3-ol is sourced from PubChem (CID 107447186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).