5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol

C15H14FN3O — CID 63064814

IUPAC5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol
SMILESCC(Nc1cccc2cn[nH]c12)c1ccc(F)cc1O
InChIInChI=1S/C15H14FN3O/c1-9(12-6-5-11(16)7-14(12)20)18-13-4-2-3-10-8-17-19-15(10)13/h2-9,18,20H,1H3,(H,17,19)
InChIKeyQQPRXYCJDWOQHV-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.58
Rot. Bonds3

About 5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol

5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol (PubChem CID 63064814) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol
PubChem CID63064814
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol
SMILESCC(Nc1cccc2cn[nH]c12)c1ccc(F)cc1O
InChIInChI=1S/C15H14FN3O/c1-9(12-6-5-11(16)7-14(12)20)18-13-4-2-3-10-8-17-19-15(10)13/h2-9,18,20H,1H3,(H,17,19)
InChIKeyQQPRXYCJDWOQHV-UHFFFAOYSA-N
XLogP3.58
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol (CID 63064814) is 5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol is CC(Nc1cccc2cn[nH]c12)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol?
The InChIKey is QQPRXYCJDWOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-9(12-6-5-11(16)7-14(12)20)18-13-4-2-3-10-8-17-19-15(10)13/h2-9,18,20H,1H3,(H,17,19).
What are the key properties of 5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol?
5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol has a molecular weight of 271.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(1H-indazol-7-ylamino)ethyl]phenol is sourced from PubChem (CID 63064814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).