4-chloro-1-methyl-3-phenylindazole

C14H11ClN2 — CID 166449326

IUPAC4-chloro-1-methyl-3-phenylindazole
SMILESCn1nc(-c2ccccc2)c2c(Cl)cccc21
InChIInChI=1S/C14H11ClN2/c1-17-12-9-5-8-11(15)13(12)14(16-17)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyVCXCZCHFHPMHEU-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.89
Rot. Bonds1

About 4-chloro-1-methyl-3-phenylindazole

4-chloro-1-methyl-3-phenylindazole (PubChem CID 166449326) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-phenylindazole.

Molecular Properties

Compound Name4-chloro-1-methyl-3-phenylindazole
PubChem CID166449326
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name4-chloro-1-methyl-3-phenylindazole
SMILESCn1nc(-c2ccccc2)c2c(Cl)cccc21
InChIInChI=1S/C14H11ClN2/c1-17-12-9-5-8-11(15)13(12)14(16-17)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyVCXCZCHFHPMHEU-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-phenylindazole?
The IUPAC name of 4-chloro-1-methyl-3-phenylindazole (CID 166449326) is 4-chloro-1-methyl-3-phenylindazole.
What is the SMILES notation for 4-chloro-1-methyl-3-phenylindazole?
The canonical SMILES for 4-chloro-1-methyl-3-phenylindazole is Cn1nc(-c2ccccc2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-methyl-3-phenylindazole?
The InChIKey is VCXCZCHFHPMHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-17-12-9-5-8-11(15)13(12)14(16-17)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 4-chloro-1-methyl-3-phenylindazole?
4-chloro-1-methyl-3-phenylindazole has a molecular weight of 242.71 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-phenylindazole is sourced from PubChem (CID 166449326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).