3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol

C14H10F2N2O — CID 145361428

IUPAC3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol
SMILESOc1cc(F)c(Cc2[nH]nc3ccccc23)c(F)c1
InChIInChI=1S/C14H10F2N2O/c15-11-5-8(19)6-12(16)10(11)7-14-9-3-1-2-4-13(9)17-18-14/h1-6,19H,7H2,(H,17,18)
InChIKeyIWIMLFKCEGFKAP-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.14
Rot. Bonds2

About 3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol

3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol (PubChem CID 145361428) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol.

Molecular Properties

Compound Name3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol
PubChem CID145361428
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol
SMILESOc1cc(F)c(Cc2[nH]nc3ccccc23)c(F)c1
InChIInChI=1S/C14H10F2N2O/c15-11-5-8(19)6-12(16)10(11)7-14-9-3-1-2-4-13(9)17-18-14/h1-6,19H,7H2,(H,17,18)
InChIKeyIWIMLFKCEGFKAP-UHFFFAOYSA-N
XLogP3.14
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol?
The IUPAC name of 3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol (CID 145361428) is 3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol.
What is the SMILES notation for 3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol?
The canonical SMILES for 3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol is Oc1cc(F)c(Cc2[nH]nc3ccccc23)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol?
The InChIKey is IWIMLFKCEGFKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-11-5-8(19)6-12(16)10(11)7-14-9-3-1-2-4-13(9)17-18-14/h1-6,19H,7H2,(H,17,18).
What are the key properties of 3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol?
3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol has a molecular weight of 260.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(2H-indazol-3-ylmethyl)phenol is sourced from PubChem (CID 145361428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).