2-(6-fluoro-1H-indazol-3-yl)aniline

C13H10FN3 — CID 164609530

IUPAC2-(6-fluoro-1H-indazol-3-yl)aniline
SMILESNc1ccccc1-c1n[nH]c2cc(F)ccc12
InChIInChI=1S/C13H10FN3/c14-8-5-6-10-12(7-8)16-17-13(10)9-3-1-2-4-11(9)15/h1-7H,15H2,(H,16,17)
InChIKeyPCBFSKZQVLNGJQ-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.95
Rot. Bonds1

About 2-(6-fluoro-1H-indazol-3-yl)aniline

2-(6-fluoro-1H-indazol-3-yl)aniline (PubChem CID 164609530) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indazol-3-yl)aniline.

Molecular Properties

Compound Name2-(6-fluoro-1H-indazol-3-yl)aniline
PubChem CID164609530
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-(6-fluoro-1H-indazol-3-yl)aniline
SMILESNc1ccccc1-c1n[nH]c2cc(F)ccc12
InChIInChI=1S/C13H10FN3/c14-8-5-6-10-12(7-8)16-17-13(10)9-3-1-2-4-11(9)15/h1-7H,15H2,(H,16,17)
InChIKeyPCBFSKZQVLNGJQ-UHFFFAOYSA-N
XLogP2.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indazol-3-yl)aniline?
The IUPAC name of 2-(6-fluoro-1H-indazol-3-yl)aniline (CID 164609530) is 2-(6-fluoro-1H-indazol-3-yl)aniline.
What is the SMILES notation for 2-(6-fluoro-1H-indazol-3-yl)aniline?
The canonical SMILES for 2-(6-fluoro-1H-indazol-3-yl)aniline is Nc1ccccc1-c1n[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indazol-3-yl)aniline?
The InChIKey is PCBFSKZQVLNGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-8-5-6-10-12(7-8)16-17-13(10)9-3-1-2-4-11(9)15/h1-7H,15H2,(H,16,17).
What are the key properties of 2-(6-fluoro-1H-indazol-3-yl)aniline?
2-(6-fluoro-1H-indazol-3-yl)aniline has a molecular weight of 227.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indazol-3-yl)aniline is sourced from PubChem (CID 164609530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).