3-chloro-1-(4-methylphenyl)indazole

C14H11ClN2 — CID 11311072

IUPAC3-chloro-1-(4-methylphenyl)indazole
SMILESCc1ccc(-n2nc(Cl)c3ccccc32)cc1
InChIInChI=1S/C14H11ClN2/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16-17/h2-9H,1H3
InChIKeyFYJAFJHVFUALCO-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.99
Rot. Bonds1

About 3-chloro-1-(4-methylphenyl)indazole

3-chloro-1-(4-methylphenyl)indazole (PubChem CID 11311072) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-1-(4-methylphenyl)indazole.

Molecular Properties

Compound Name3-chloro-1-(4-methylphenyl)indazole
PubChem CID11311072
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name3-chloro-1-(4-methylphenyl)indazole
SMILESCc1ccc(-n2nc(Cl)c3ccccc32)cc1
InChIInChI=1S/C14H11ClN2/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16-17/h2-9H,1H3
InChIKeyFYJAFJHVFUALCO-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-methylphenyl)indazole?
The IUPAC name of 3-chloro-1-(4-methylphenyl)indazole (CID 11311072) is 3-chloro-1-(4-methylphenyl)indazole.
What is the SMILES notation for 3-chloro-1-(4-methylphenyl)indazole?
The canonical SMILES for 3-chloro-1-(4-methylphenyl)indazole is Cc1ccc(-n2nc(Cl)c3ccccc32)cc1.
What is the InChIKey of 3-chloro-1-(4-methylphenyl)indazole?
The InChIKey is FYJAFJHVFUALCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16-17/h2-9H,1H3.
What are the key properties of 3-chloro-1-(4-methylphenyl)indazole?
3-chloro-1-(4-methylphenyl)indazole has a molecular weight of 242.71 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-methylphenyl)indazole is sourced from PubChem (CID 11311072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).