5-(3-fluorophenyl)-1-methylindazole

C14H11FN2 — CID 134375389

IUPAC5-(3-fluorophenyl)-1-methylindazole
SMILESCn1ncc2cc(-c3cccc(F)c3)ccc21
InChIInChI=1S/C14H11FN2/c1-17-14-6-5-11(7-12(14)9-16-17)10-3-2-4-13(15)8-10/h2-9H,1H3
InChIKeyQMRBFSQZPAEKPF-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.38
Rot. Bonds1

About 5-(3-fluorophenyl)-1-methylindazole

5-(3-fluorophenyl)-1-methylindazole (PubChem CID 134375389) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-methylindazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-methylindazole
PubChem CID134375389
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name5-(3-fluorophenyl)-1-methylindazole
SMILESCn1ncc2cc(-c3cccc(F)c3)ccc21
InChIInChI=1S/C14H11FN2/c1-17-14-6-5-11(7-12(14)9-16-17)10-3-2-4-13(15)8-10/h2-9H,1H3
InChIKeyQMRBFSQZPAEKPF-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-methylindazole?
The IUPAC name of 5-(3-fluorophenyl)-1-methylindazole (CID 134375389) is 5-(3-fluorophenyl)-1-methylindazole.
What is the SMILES notation for 5-(3-fluorophenyl)-1-methylindazole?
The canonical SMILES for 5-(3-fluorophenyl)-1-methylindazole is Cn1ncc2cc(-c3cccc(F)c3)ccc21.
What is the InChIKey of 5-(3-fluorophenyl)-1-methylindazole?
The InChIKey is QMRBFSQZPAEKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-17-14-6-5-11(7-12(14)9-16-17)10-3-2-4-13(15)8-10/h2-9H,1H3.
What are the key properties of 5-(3-fluorophenyl)-1-methylindazole?
5-(3-fluorophenyl)-1-methylindazole has a molecular weight of 226.25 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-methylindazole is sourced from PubChem (CID 134375389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).