[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate

C16H12Cl2N2O3 — CID 68614157

IUPAC[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate
SMILESCOC(=O)Oc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C
InChIInChI=1S/C16H12Cl2N2O3/c1-20-15(23-16(21)22-2)12-5-3-4-11(14(12)19-20)10-7-6-9(17)8-13(10)18/h3-8H,1-2H3
InChIKeyYNFDEAQCCDVRFA-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.69
Rot. Bonds2

About [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate

[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate (PubChem CID 68614157) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate.

Molecular Properties

Compound Name[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate
PubChem CID68614157
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate
SMILESCOC(=O)Oc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C
InChIInChI=1S/C16H12Cl2N2O3/c1-20-15(23-16(21)22-2)12-5-3-4-11(14(12)19-20)10-7-6-9(17)8-13(10)18/h3-8H,1-2H3
InChIKeyYNFDEAQCCDVRFA-UHFFFAOYSA-N
XLogP4.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate
CID 68614330
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea
CID 68615025
methyl 3-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]imidazole-4-carboxylate
CID 24758671
1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol
CID 91469465
7-(2,4-dichlorophenyl)-2-methyl-N-propylindazol-3-amine;hydrochloride
CID 172740552
7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole
CID 59702308
7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile
CID 59702374
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone
CID 58988229
2-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl-(methylamino)amino]-2-iminoacetamide
CID 89328212
7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde
CID 157157508
ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate
CID 58988264
N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide
CID 58988252

Frequently Asked Questions

What is the IUPAC name of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate?
The IUPAC name of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate (CID 68614157) is [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate.
What is the SMILES notation for [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate?
The canonical SMILES for [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate is COC(=O)Oc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C.
What is the InChIKey of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate?
The InChIKey is YNFDEAQCCDVRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c1-20-15(23-16(21)22-2)12-5-3-4-11(14(12)19-20)10-7-6-9(17)8-13(10)18/h3-8H,1-2H3.
What are the key properties of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate?
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate has a molecular weight of 351.19 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate is sourced from PubChem (CID 68614157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).