methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate

C15H11FN2O2 — CID 22260721

IUPACmethyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C15H11FN2O2/c1-20-15(19)10-5-6-13-12(8-10)14(18-17-13)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,17,18)
InChIKeyYRLHMHMVARUPKQ-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.16
Rot. Bonds2

About methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate

methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate (PubChem CID 22260721) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
PubChem CID22260721
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Namemethyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C15H11FN2O2/c1-20-15(19)10-5-6-13-12(8-10)14(18-17-13)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,17,18)
InChIKeyYRLHMHMVARUPKQ-UHFFFAOYSA-N
XLogP3.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate?
The IUPAC name of methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate (CID 22260721) is methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate.
What is the SMILES notation for methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate?
The canonical SMILES for methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate is COC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.
What is the InChIKey of methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate?
The InChIKey is YRLHMHMVARUPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-20-15(19)10-5-6-13-12(8-10)14(18-17-13)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate?
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate has a molecular weight of 270.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate is sourced from PubChem (CID 22260721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).