3-chloro-5-(2-fluorophenyl)-2H-indazole

C13H8ClFN2 — CID 122458699

IUPAC3-chloro-5-(2-fluorophenyl)-2H-indazole
SMILESFc1ccccc1-c1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C13H8ClFN2/c14-13-10-7-8(5-6-12(10)16-17-13)9-3-1-2-4-11(9)15/h1-7H,(H,16,17)
InChIKeyQEMSNCHSGDNKJT-UHFFFAOYSA-N
MW246.67 g/mol
LogP4.02
Rot. Bonds1

About 3-chloro-5-(2-fluorophenyl)-2H-indazole

3-chloro-5-(2-fluorophenyl)-2H-indazole (PubChem CID 122458699) has the molecular formula C13H8ClFN2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 3-chloro-5-(2-fluorophenyl)-2H-indazole.

Molecular Properties

Compound Name3-chloro-5-(2-fluorophenyl)-2H-indazole
PubChem CID122458699
Molecular FormulaC13H8ClFN2
Molecular Weight246.67 g/mol
Exact Mass246.04
IUPAC Name3-chloro-5-(2-fluorophenyl)-2H-indazole
SMILESFc1ccccc1-c1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C13H8ClFN2/c14-13-10-7-8(5-6-12(10)16-17-13)9-3-1-2-4-11(9)15/h1-7H,(H,16,17)
InChIKeyQEMSNCHSGDNKJT-UHFFFAOYSA-N
XLogP4.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-fluorophenyl)-2H-indazole?
The IUPAC name of 3-chloro-5-(2-fluorophenyl)-2H-indazole (CID 122458699) is 3-chloro-5-(2-fluorophenyl)-2H-indazole.
What is the SMILES notation for 3-chloro-5-(2-fluorophenyl)-2H-indazole?
The canonical SMILES for 3-chloro-5-(2-fluorophenyl)-2H-indazole is Fc1ccccc1-c1ccc2n[nH]c(Cl)c2c1.
What is the InChIKey of 3-chloro-5-(2-fluorophenyl)-2H-indazole?
The InChIKey is QEMSNCHSGDNKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2/c14-13-10-7-8(5-6-12(10)16-17-13)9-3-1-2-4-11(9)15/h1-7H,(H,16,17).
What are the key properties of 3-chloro-5-(2-fluorophenyl)-2H-indazole?
3-chloro-5-(2-fluorophenyl)-2H-indazole has a molecular weight of 246.67 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-fluorophenyl)-2H-indazole is sourced from PubChem (CID 122458699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).