methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate

C17H14Cl2N2O3 — CID 11581379

IUPACmethyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(OC)ccc12
InChIInChI=1S/C17H14Cl2N2O3/c1-23-12-5-6-13-15(8-12)21(20-16(13)17(22)24-2)9-10-3-4-11(18)7-14(10)19/h3-8H,9H2,1-2H3
InChIKeyZUSQGZXJOKOIKB-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.19
Rot. Bonds4

About methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate

methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate (PubChem CID 11581379) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate
PubChem CID11581379
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Namemethyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(OC)ccc12
InChIInChI=1S/C17H14Cl2N2O3/c1-23-12-5-6-13-15(8-12)21(20-16(13)17(22)24-2)9-10-3-4-11(18)7-14(10)19/h3-8H,9H2,1-2H3
InChIKeyZUSQGZXJOKOIKB-UHFFFAOYSA-N
XLogP4.19
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate?
The IUPAC name of methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate (CID 11581379) is methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate?
The canonical SMILES for methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(OC)ccc12.
What is the InChIKey of methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate?
The InChIKey is ZUSQGZXJOKOIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-23-12-5-6-13-15(8-12)21(20-16(13)17(22)24-2)9-10-3-4-11(18)7-14(10)19/h3-8H,9H2,1-2H3.
What are the key properties of methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate?
methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate has a molecular weight of 365.22 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazole-3-carboxylate is sourced from PubChem (CID 11581379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).