6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine

C16H13F2N3 — CID 59797178

IUPAC6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine
SMILESCn1nc(/C=C/c2ccc(F)cc2)c2cc(N)c(F)cc21
InChIInChI=1S/C16H13F2N3/c1-21-16-9-13(18)14(19)8-12(16)15(20-21)7-4-10-2-5-11(17)6-3-10/h2-9H,19H2,1H3/b7-4+
InChIKeyJBJOTDRYQNXAEZ-QPJJXVBHSA-N
MW285.30 g/mol
LogP3.60
Rot. Bonds2

About 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine

6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine (PubChem CID 59797178) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine.

Molecular Properties

Compound Name6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine
PubChem CID59797178
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine
SMILESCn1nc(/C=C/c2ccc(F)cc2)c2cc(N)c(F)cc21
InChIInChI=1S/C16H13F2N3/c1-21-16-9-13(18)14(19)8-12(16)15(20-21)7-4-10-2-5-11(17)6-3-10/h2-9H,19H2,1H3/b7-4+
InChIKeyJBJOTDRYQNXAEZ-QPJJXVBHSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine?
The IUPAC name of 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine (CID 59797178) is 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine.
What is the SMILES notation for 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine?
The canonical SMILES for 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine is Cn1nc(/C=C/c2ccc(F)cc2)c2cc(N)c(F)cc21.
What is the InChIKey of 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine?
The InChIKey is JBJOTDRYQNXAEZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-21-16-9-13(18)14(19)8-12(16)15(20-21)7-4-10-2-5-11(17)6-3-10/h2-9H,19H2,1H3/b7-4+.
What are the key properties of 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine?
6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine has a molecular weight of 285.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine is sourced from PubChem (CID 59797178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).