methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate

C17H12F4N2O2 — CID 66887230

IUPACmethyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(C(F)F)ccc12
InChIInChI=1S/C17H12F4N2O2/c1-25-17(24)15-12-5-3-9(16(20)21)6-14(12)23(22-15)8-10-2-4-11(18)7-13(10)19/h2-7,16H,8H2,1H3
InChIKeyFGRGAPLOQFAZQV-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.09
Rot. Bonds4

About methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate

methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate (PubChem CID 66887230) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
PubChem CID66887230
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC Namemethyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(C(F)F)ccc12
InChIInChI=1S/C17H12F4N2O2/c1-25-17(24)15-12-5-3-9(16(20)21)6-14(12)23(22-15)8-10-2-4-11(18)7-13(10)19/h2-7,16H,8H2,1H3
InChIKeyFGRGAPLOQFAZQV-UHFFFAOYSA-N
XLogP4.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.09
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
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide
CID 11638599
1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
CID 66888571
methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate
CID 144672684
methyl (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazol-3-yl]prop-2-enoate
CID 11661519
3-[1-[(4-chloro-2-fluorophenyl)methyl]-6-(difluoromethyl)indazol-3-yl]prop-2-enehydrazide
CID 66900737
methyl 3-[1-[(2,4-difluorophenyl)methyl]-6-(hydroxymethyl)indazol-3-yl]prop-2-enoate
CID 66889213
1-[(4-chloro-2-fluorophenyl)methyl]-6-methylsulfonylindazole-3-carboxylic acid
CID 91584953
1-[(2,4-difluorophenyl)methyl]-5-(trifluoromethyl)indazole-3-carbohydrazide
CID 11523569

Frequently Asked Questions

What is the IUPAC name of methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate?
The IUPAC name of methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate (CID 66887230) is methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate.
What is the SMILES notation for methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate?
The canonical SMILES for methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(C(F)F)ccc12.
What is the InChIKey of methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate?
The InChIKey is FGRGAPLOQFAZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c1-25-17(24)15-12-5-3-9(16(20)21)6-14(12)23(22-15)8-10-2-4-11(18)7-13(10)19/h2-7,16H,8H2,1H3.
What are the key properties of methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate?
methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate has a molecular weight of 352.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate is sourced from PubChem (CID 66887230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).