5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol

C14H6Cl3F3N2O — CID 135700179

IUPAC5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol
SMILESOc1cc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1Cl
InChIInChI=1S/C14H6Cl3F3N2O/c15-8-1-6-5-21-22(11(6)4-12(8)23)13-9(16)2-7(3-10(13)17)14(18,19)20/h1-5,23H
InChIKeyOCNOTDZKNRTOFR-UHFFFAOYSA-N
MW381.57 g/mol
LogP5.71
Rot. Bonds1

About 5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol

5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol (PubChem CID 135700179) has the molecular formula C14H6Cl3F3N2O and a molecular weight of 381.57 g/mol. Its IUPAC name is 5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol.

Molecular Properties

Compound Name5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol
PubChem CID135700179
Molecular FormulaC14H6Cl3F3N2O
Molecular Weight381.57 g/mol
Exact Mass379.95
IUPAC Name5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol
SMILESOc1cc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1Cl
InChIInChI=1S/C14H6Cl3F3N2O/c15-8-1-6-5-21-22(11(6)4-12(8)23)13-9(16)2-7(3-10(13)17)14(18,19)20/h1-5,23H
InChIKeyOCNOTDZKNRTOFR-UHFFFAOYSA-N
XLogP5.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.57
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol?
The IUPAC name of 5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol (CID 135700179) is 5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol.
What is the SMILES notation for 5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol?
The canonical SMILES for 5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol is Oc1cc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol?
The InChIKey is OCNOTDZKNRTOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3F3N2O/c15-8-1-6-5-21-22(11(6)4-12(8)23)13-9(16)2-7(3-10(13)17)14(18,19)20/h1-5,23H.
What are the key properties of 5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol?
5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol has a molecular weight of 381.57 g/mol, XLogP of 5.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-ol is sourced from PubChem (CID 135700179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).