5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol

C15H13FN2O — CID 141354845

IUPAC5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H13FN2O/c1-2-9-6-15(19)13(16)7-12(9)10-3-4-11-8-17-18-14(11)5-10/h3-8,19H,2H2,1H3,(H,17,18)
InChIKeyWPQFPKRBWBVUHY-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.64
Rot. Bonds2

About 5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol

5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol (PubChem CID 141354845) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol.

Molecular Properties

Compound Name5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol
PubChem CID141354845
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H13FN2O/c1-2-9-6-15(19)13(16)7-12(9)10-3-4-11-8-17-18-14(11)5-10/h3-8,19H,2H2,1H3,(H,17,18)
InChIKeyWPQFPKRBWBVUHY-UHFFFAOYSA-N
XLogP3.64
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol?
The IUPAC name of 5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol (CID 141354845) is 5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol.
What is the SMILES notation for 5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol?
The canonical SMILES for 5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol is CCc1cc(O)c(F)cc1-c1ccc2cn[nH]c2c1.
What is the InChIKey of 5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol?
The InChIKey is WPQFPKRBWBVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-2-9-6-15(19)13(16)7-12(9)10-3-4-11-8-17-18-14(11)5-10/h3-8,19H,2H2,1H3,(H,17,18).
What are the key properties of 5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol?
5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol has a molecular weight of 256.28 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-4-(1H-indazol-6-yl)phenol is sourced from PubChem (CID 141354845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).