6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole

C16H12ClN3 — CID 135409284

IUPAC6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole
SMILESCc1ccc2[nH]c(-c3n[nH]c4cc(Cl)ccc34)cc2c1
InChIInChI=1S/C16H12ClN3/c1-9-2-5-13-10(6-9)7-15(18-13)16-12-4-3-11(17)8-14(12)19-20-16/h2-8,18H,1H3,(H,19,20)
InChIKeyLJULPEHNCVMZNX-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.67
Rot. Bonds1

About 6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole

6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole (PubChem CID 135409284) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole.

Molecular Properties

Compound Name6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole
PubChem CID135409284
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole
SMILESCc1ccc2[nH]c(-c3n[nH]c4cc(Cl)ccc34)cc2c1
InChIInChI=1S/C16H12ClN3/c1-9-2-5-13-10(6-9)7-15(18-13)16-12-4-3-11(17)8-14(12)19-20-16/h2-8,18H,1H3,(H,19,20)
InChIKeyLJULPEHNCVMZNX-UHFFFAOYSA-N
XLogP4.67
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole?
The IUPAC name of 6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole (CID 135409284) is 6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole.
What is the SMILES notation for 6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole?
The canonical SMILES for 6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole is Cc1ccc2[nH]c(-c3n[nH]c4cc(Cl)ccc34)cc2c1.
What is the InChIKey of 6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole?
The InChIKey is LJULPEHNCVMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c1-9-2-5-13-10(6-9)7-15(18-13)16-12-4-3-11(17)8-14(12)19-20-16/h2-8,18H,1H3,(H,19,20).
What are the key properties of 6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole?
6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole has a molecular weight of 281.75 g/mol, XLogP of 4.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole is sourced from PubChem (CID 135409284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).