3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile

C15H10FN3O — CID 22260779

IUPAC3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile
SMILESCOc1c(C#N)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C15H10FN3O/c1-20-15-10(8-17)5-6-12-13(15)14(19-18-12)9-3-2-4-11(16)7-9/h2-7H,1H3,(H,18,19)
InChIKeyAORDMRCGPFHFNV-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.25
Rot. Bonds2

About 3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile

3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile (PubChem CID 22260779) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile
PubChem CID22260779
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile
SMILESCOc1c(C#N)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C15H10FN3O/c1-20-15-10(8-17)5-6-12-13(15)14(19-18-12)9-3-2-4-11(16)7-9/h2-7H,1H3,(H,18,19)
InChIKeyAORDMRCGPFHFNV-UHFFFAOYSA-N
XLogP3.25
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile?
The IUPAC name of 3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile (CID 22260779) is 3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile.
What is the SMILES notation for 3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile?
The canonical SMILES for 3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile is COc1c(C#N)ccc2[nH]nc(-c3cccc(F)c3)c12.
What is the InChIKey of 3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile?
The InChIKey is AORDMRCGPFHFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c1-20-15-10(8-17)5-6-12-13(15)14(19-18-12)9-3-2-4-11(16)7-9/h2-7H,1H3,(H,18,19).
What are the key properties of 3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile?
3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile has a molecular weight of 267.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carbonitrile is sourced from PubChem (CID 22260779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).