6-chloro-4-phenyl-1H-indazole

C13H9ClN2 — CID 127047863

IUPAC6-chloro-4-phenyl-1H-indazole
SMILESClc1cc(-c2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C13H9ClN2/c14-10-6-11(9-4-2-1-3-5-9)12-8-15-16-13(12)7-10/h1-8H,(H,15,16)
InChIKeyQHDWHCBIHPDKKB-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.88
Rot. Bonds1

About 6-chloro-4-phenyl-1H-indazole

6-chloro-4-phenyl-1H-indazole (PubChem CID 127047863) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-4-phenyl-1H-indazole.

Molecular Properties

Compound Name6-chloro-4-phenyl-1H-indazole
PubChem CID127047863
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name6-chloro-4-phenyl-1H-indazole
SMILESClc1cc(-c2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C13H9ClN2/c14-10-6-11(9-4-2-1-3-5-9)12-8-15-16-13(12)7-10/h1-8H,(H,15,16)
InChIKeyQHDWHCBIHPDKKB-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-1H-indazole?
The IUPAC name of 6-chloro-4-phenyl-1H-indazole (CID 127047863) is 6-chloro-4-phenyl-1H-indazole.
What is the SMILES notation for 6-chloro-4-phenyl-1H-indazole?
The canonical SMILES for 6-chloro-4-phenyl-1H-indazole is Clc1cc(-c2ccccc2)c2cn[nH]c2c1.
What is the InChIKey of 6-chloro-4-phenyl-1H-indazole?
The InChIKey is QHDWHCBIHPDKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-10-6-11(9-4-2-1-3-5-9)12-8-15-16-13(12)7-10/h1-8H,(H,15,16).
What are the key properties of 6-chloro-4-phenyl-1H-indazole?
6-chloro-4-phenyl-1H-indazole has a molecular weight of 228.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-1H-indazole is sourced from PubChem (CID 127047863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).