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

C16H11Cl3N2O2 — CID 66887924

IUPACmethyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(Cl)ccc12
InChIInChI=1S/C16H11Cl3N2O2/c1-23-16(22)15-12-5-4-11(18)7-14(12)21(20-15)8-9-2-3-10(17)6-13(9)19/h2-7H,8H2,1H3
InChIKeyFLKDACSKJNIMTR-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.83
Rot. Bonds3

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

methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate (PubChem CID 66887924) has the molecular formula C16H11Cl3N2O2 and a molecular weight of 369.64 g/mol. Its IUPAC name is methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
PubChem CID66887924
Molecular FormulaC16H11Cl3N2O2
Molecular Weight369.64 g/mol
Exact Mass367.99
IUPAC Namemethyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(Cl)ccc12
InChIInChI=1S/C16H11Cl3N2O2/c1-23-16(22)15-12-5-4-11(18)7-14(12)21(20-15)8-9-2-3-10(17)6-13(9)19/h2-7H,8H2,1H3
InChIKeyFLKDACSKJNIMTR-UHFFFAOYSA-N
XLogP4.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate
CID 66888548
methyl 6-amino-1-[(2-chloro-4-fluorophenyl)methyl]indazole-3-carboxylate
CID 69403138
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycarbonylindazole-6-carboxylic acid
CID 66888999
1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
CID 11696000
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
methyl (Z)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methylindazol-3-yl]prop-2-enoate
CID 58182915
methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
CID 66887230
2-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 67610724
6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide
CID 11638599
1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 22387827
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazol-3-yl]prop-2-enoic acid
CID 11682309
1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole
CID 143192052

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
The IUPAC name of methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate (CID 66887924) is methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
The canonical SMILES for methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(Cl)ccc12.
What is the InChIKey of methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
The InChIKey is FLKDACSKJNIMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O2/c1-23-16(22)15-12-5-4-11(18)7-14(12)21(20-15)8-9-2-3-10(17)6-13(9)19/h2-7H,8H2,1H3.
What are the key properties of methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate has a molecular weight of 369.64 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate is sourced from PubChem (CID 66887924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).