2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate

C52H47Cl7N6O6 — CID 157339613

IUPAC2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate
SMILESC.COC(=O)c1c2ccc(C)cc2nn1Cc1cc(Cl)ccc1Cl.COC(=O)c1n[nH]c2cc(C)ccc12.COC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C)ccc12.ClCc1ccc(Cl)cc1Cl
InChIInChI=1S/2C17H14Cl2N2O2.C10H10N2O2.C7H5Cl3.CH4/c1-10-3-6-13-15(7-10)21(20-16(13)17(22)23-2)9-11-4-5-12(18)8-14(11)19;1-10-3-5-13-15(7-10)20-21(16(13)17(22)23-2)9-11-8-12(18)4-6-14(11)19;1-6-3-4-7-8(5-6)11-12-9(7)10(13)14-2;8-4-5-1-2-6(9)3-7(5)10;/h2*3-8H,9H2,1-2H3;3-5H,1-2H3,(H,11,12);1-3H,4H2;1H4
InChIKeyBGFZXCWEYJUJCR-UHFFFAOYSA-N
MW1100.15 g/mol
LogP15.00
Rot. Bonds8

About 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate

2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate (PubChem CID 157339613) has the molecular formula C52H47Cl7N6O6 and a molecular weight of 1100.15 g/mol. Its IUPAC name is 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate.

Molecular Properties

Compound Name2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate
PubChem CID157339613
Molecular FormulaC52H47Cl7N6O6
Molecular Weight1100.15 g/mol
Exact Mass1096.14
IUPAC Name2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate
SMILESC.COC(=O)c1c2ccc(C)cc2nn1Cc1cc(Cl)ccc1Cl.COC(=O)c1n[nH]c2cc(C)ccc12.COC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C)ccc12.ClCc1ccc(Cl)cc1Cl
InChIInChI=1S/2C17H14Cl2N2O2.C10H10N2O2.C7H5Cl3.CH4/c1-10-3-6-13-15(7-10)21(20-16(13)17(22)23-2)9-11-4-5-12(18)8-14(11)19;1-10-3-5-13-15(7-10)20-21(16(13)17(22)23-2)9-11-8-12(18)4-6-14(11)19;1-6-3-4-7-8(5-6)11-12-9(7)10(13)14-2;8-4-5-1-2-6(9)3-7(5)10;/h2*3-8H,9H2,1-2H3;3-5H,1-2H3,(H,11,12);1-3H,4H2;1H4
InChIKeyBGFZXCWEYJUJCR-UHFFFAOYSA-N
XLogP15.00
TPSA143.22 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001100.15
LogP ≤ 515.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate?
The IUPAC name of 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate (CID 157339613) is 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate.
What is the SMILES notation for 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate?
The canonical SMILES for 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate is C.COC(=O)c1c2ccc(C)cc2nn1Cc1cc(Cl)ccc1Cl.COC(=O)c1n[nH]c2cc(C)ccc12.COC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C)ccc12.ClCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate?
The InChIKey is BGFZXCWEYJUJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14Cl2N2O2.C10H10N2O2.C7H5Cl3.CH4/c1-10-3-6-13-15(7-10)21(20-16(13)17(22)23-2)9-11-4-5-12(18)8-14(11)19;1-10-3-5-13-15(7-10)20-21(16(13)17(22)23-2)9-11-8-12(18)4-6-14(11)19;1-6-3-4-7-8(5-6)11-12-9(7)10(13)14-2;8-4-5-1-2-6(9)3-7(5)10;/h2*3-8H,9H2,1-2H3;3-5H,1-2H3,(H,11,12);1-3H,4H2;1H4.
What are the key properties of 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate?
2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate has a molecular weight of 1100.15 g/mol, XLogP of 15.00, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(chloromethyl)benzene;methane;methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 2-[(2,5-dichlorophenyl)methyl]-6-methylindazole-3-carboxylate;methyl 6-methyl-1H-indazole-3-carboxylate is sourced from PubChem (CID 157339613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).