5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole

C15H12Cl2N2 — CID 46935408

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole
SMILESCc1cc2c(cnn2Cc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H12Cl2N2/c1-10-6-15-12(7-14(10)17)8-18-19(15)9-11-2-4-13(16)5-3-11/h2-8H,9H2,1H3
InChIKeyOYDPUPOSJYMKNZ-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.70
Rot. Bonds2

About 5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole

5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole (PubChem CID 46935408) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole
PubChem CID46935408
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole
SMILESCc1cc2c(cnn2Cc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H12Cl2N2/c1-10-6-15-12(7-14(10)17)8-18-19(15)9-11-2-4-13(16)5-3-11/h2-8H,9H2,1H3
InChIKeyOYDPUPOSJYMKNZ-UHFFFAOYSA-N
XLogP4.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole (CID 46935408) is 5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole is Cc1cc2c(cnn2Cc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole?
The InChIKey is OYDPUPOSJYMKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-10-6-15-12(7-14(10)17)8-18-19(15)9-11-2-4-13(16)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole?
5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole has a molecular weight of 291.18 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole is sourced from PubChem (CID 46935408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).