3-fluoro-4-(2-methylindazol-6-yl)oxyaniline

C14H12FN3O — CID 166543843

IUPAC3-fluoro-4-(2-methylindazol-6-yl)oxyaniline
SMILESCn1cc2ccc(Oc3ccc(N)cc3F)cc2n1
InChIInChI=1S/C14H12FN3O/c1-18-8-9-2-4-11(7-13(9)17-18)19-14-5-3-10(16)6-12(14)15/h2-8H,16H2,1H3
InChIKeyODYUVYWXWGRKSV-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.09
Rot. Bonds2

About 3-fluoro-4-(2-methylindazol-6-yl)oxyaniline

3-fluoro-4-(2-methylindazol-6-yl)oxyaniline (PubChem CID 166543843) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-fluoro-4-(2-methylindazol-6-yl)oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-(2-methylindazol-6-yl)oxyaniline
PubChem CID166543843
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-fluoro-4-(2-methylindazol-6-yl)oxyaniline
SMILESCn1cc2ccc(Oc3ccc(N)cc3F)cc2n1
InChIInChI=1S/C14H12FN3O/c1-18-8-9-2-4-11(7-13(9)17-18)19-14-5-3-10(16)6-12(14)15/h2-8H,16H2,1H3
InChIKeyODYUVYWXWGRKSV-UHFFFAOYSA-N
XLogP3.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
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 3-fluoro-4-(2-methylindazol-6-yl)oxyaniline?
The IUPAC name of 3-fluoro-4-(2-methylindazol-6-yl)oxyaniline (CID 166543843) is 3-fluoro-4-(2-methylindazol-6-yl)oxyaniline.
What is the SMILES notation for 3-fluoro-4-(2-methylindazol-6-yl)oxyaniline?
The canonical SMILES for 3-fluoro-4-(2-methylindazol-6-yl)oxyaniline is Cn1cc2ccc(Oc3ccc(N)cc3F)cc2n1.
What is the InChIKey of 3-fluoro-4-(2-methylindazol-6-yl)oxyaniline?
The InChIKey is ODYUVYWXWGRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-18-8-9-2-4-11(7-13(9)17-18)19-14-5-3-10(16)6-12(14)15/h2-8H,16H2,1H3.
What are the key properties of 3-fluoro-4-(2-methylindazol-6-yl)oxyaniline?
3-fluoro-4-(2-methylindazol-6-yl)oxyaniline has a molecular weight of 257.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methylindazol-6-yl)oxyaniline is sourced from PubChem (CID 166543843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).