5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile

C16H11BrClN3 — CID 130204504

IUPAC5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile
SMILESN#Cc1cc(Br)cc2cnn(CCc3ccccc3Cl)c12
InChIInChI=1S/C16H11BrClN3/c17-14-7-12(9-19)16-13(8-14)10-20-21(16)6-5-11-3-1-2-4-15(11)18/h1-4,7-8,10H,5-6H2
InChIKeyXDPMLQVMWJMGQX-UHFFFAOYSA-N
MW360.64 g/mol
LogP4.57
Rot. Bonds3

About 5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile

5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile (PubChem CID 130204504) has the molecular formula C16H11BrClN3 and a molecular weight of 360.64 g/mol. Its IUPAC name is 5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile.

Molecular Properties

Compound Name5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile
PubChem CID130204504
Molecular FormulaC16H11BrClN3
Molecular Weight360.64 g/mol
Exact Mass358.98
IUPAC Name5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile
SMILESN#Cc1cc(Br)cc2cnn(CCc3ccccc3Cl)c12
InChIInChI=1S/C16H11BrClN3/c17-14-7-12(9-19)16-13(8-14)10-20-21(16)6-5-11-3-1-2-4-15(11)18/h1-4,7-8,10H,5-6H2
InChIKeyXDPMLQVMWJMGQX-UHFFFAOYSA-N
XLogP4.57
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile?
The IUPAC name of 5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile (CID 130204504) is 5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile.
What is the SMILES notation for 5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile?
The canonical SMILES for 5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile is N#Cc1cc(Br)cc2cnn(CCc3ccccc3Cl)c12.
What is the InChIKey of 5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile?
The InChIKey is XDPMLQVMWJMGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3/c17-14-7-12(9-19)16-13(8-14)10-20-21(16)6-5-11-3-1-2-4-15(11)18/h1-4,7-8,10H,5-6H2.
What are the key properties of 5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile?
5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile has a molecular weight of 360.64 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2-chlorophenyl)ethyl]indazole-7-carbonitrile is sourced from PubChem (CID 130204504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).