6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol

C14H10ClFN2O — CID 59299251

IUPAC6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol
SMILESOc1c(Cl)ccc(Cc2[nH]nc3ccccc23)c1F
InChIInChI=1S/C14H10ClFN2O/c15-10-6-5-8(13(16)14(10)19)7-12-9-3-1-2-4-11(9)17-18-12/h1-6,19H,7H2,(H,17,18)
InChIKeyBYFVKTSXHUYUNM-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.65
Rot. Bonds2

About 6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol

6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol (PubChem CID 59299251) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol
PubChem CID59299251
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol
SMILESOc1c(Cl)ccc(Cc2[nH]nc3ccccc23)c1F
InChIInChI=1S/C14H10ClFN2O/c15-10-6-5-8(13(16)14(10)19)7-12-9-3-1-2-4-11(9)17-18-12/h1-6,19H,7H2,(H,17,18)
InChIKeyBYFVKTSXHUYUNM-UHFFFAOYSA-N
XLogP3.65
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol?
The IUPAC name of 6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol (CID 59299251) is 6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol.
What is the SMILES notation for 6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol?
The canonical SMILES for 6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol is Oc1c(Cl)ccc(Cc2[nH]nc3ccccc23)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol?
The InChIKey is BYFVKTSXHUYUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c15-10-6-5-8(13(16)14(10)19)7-12-9-3-1-2-4-11(9)17-18-12/h1-6,19H,7H2,(H,17,18).
What are the key properties of 6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol?
6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol has a molecular weight of 276.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol is sourced from PubChem (CID 59299251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).