5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol

C19H13ClFN3O — CID 163234013

IUPAC5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol
SMILESNc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C19H13ClFN3O/c20-16-8-13(22)2-4-15(16)11-1-6-18-12(7-11)10-23-24(18)14-3-5-17(21)19(25)9-14/h1-10,25H,22H2
InChIKeyNVTROUFFFWGWEQ-UHFFFAOYSA-N
MW353.78 g/mol
LogP4.77
Rot. Bonds2

About 5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol

5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol (PubChem CID 163234013) has the molecular formula C19H13ClFN3O and a molecular weight of 353.78 g/mol. Its IUPAC name is 5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol
PubChem CID163234013
Molecular FormulaC19H13ClFN3O
Molecular Weight353.78 g/mol
Exact Mass353.07
IUPAC Name5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol
SMILESNc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C19H13ClFN3O/c20-16-8-13(22)2-4-15(16)11-1-6-18-12(7-11)10-23-24(18)14-3-5-17(21)19(25)9-14/h1-10,25H,22H2
InChIKeyNVTROUFFFWGWEQ-UHFFFAOYSA-N
XLogP4.77
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol?
The IUPAC name of 5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol (CID 163234013) is 5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol.
What is the SMILES notation for 5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol?
The canonical SMILES for 5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol is Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1.
What is the InChIKey of 5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol?
The InChIKey is NVTROUFFFWGWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O/c20-16-8-13(22)2-4-15(16)11-1-6-18-12(7-11)10-23-24(18)14-3-5-17(21)19(25)9-14/h1-10,25H,22H2.
What are the key properties of 5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol?
5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol has a molecular weight of 353.78 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-amino-2-chlorophenyl)indazol-1-yl]-2-fluorophenol is sourced from PubChem (CID 163234013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).