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

C17H13F3N2O2 — CID 66888685

IUPACmethyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(CF)ccc12
InChIInChI=1S/C17H13F3N2O2/c1-24-17(23)16-13-5-2-10(8-18)6-15(13)22(21-16)9-11-3-4-12(19)7-14(11)20/h2-7H,8-9H2,1H3
InChIKeyBVQZKERQXSBHGL-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.62
Rot. Bonds4

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

methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate (PubChem CID 66888685) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate
PubChem CID66888685
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Namemethyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(CF)ccc12
InChIInChI=1S/C17H13F3N2O2/c1-24-17(23)16-13-5-2-10(8-18)6-15(13)22(21-16)9-11-3-4-12(19)7-14(11)20/h2-7H,8-9H2,1H3
InChIKeyBVQZKERQXSBHGL-UHFFFAOYSA-N
XLogP3.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate?
The IUPAC name of methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate (CID 66888685) is methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate?
The canonical SMILES for methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(CF)ccc12.
What is the InChIKey of methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate?
The InChIKey is BVQZKERQXSBHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-24-17(23)16-13-5-2-10(8-18)6-15(13)22(21-16)9-11-3-4-12(19)7-14(11)20/h2-7H,8-9H2,1H3.
What are the key properties of methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate?
methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate has a molecular weight of 334.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylate is sourced from PubChem (CID 66888685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).