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

C16H12F2N2O2 — CID 66871830

IUPACmethyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(F)cc2F)c2ccccc12
InChIInChI=1S/C16H12F2N2O2/c1-22-16(21)15-12-4-2-3-5-14(12)20(19-15)9-10-6-7-11(17)8-13(10)18/h2-8H,9H2,1H3
InChIKeyFUUIPNGNLYEFHZ-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.15
Rot. Bonds3

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

methyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate (PubChem CID 66871830) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is methyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
PubChem CID66871830
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Namemethyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(F)cc2F)c2ccccc12
InChIInChI=1S/C16H12F2N2O2/c1-22-16(21)15-12-4-2-3-5-14(12)20(19-15)9-10-6-7-11(17)8-13(10)18/h2-8H,9H2,1H3
InChIKeyFUUIPNGNLYEFHZ-UHFFFAOYSA-N
XLogP3.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate?
The IUPAC name of methyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate (CID 66871830) is methyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate?
The canonical SMILES for methyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(F)cc2F)c2ccccc12.
What is the InChIKey of methyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate?
The InChIKey is FUUIPNGNLYEFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-22-16(21)15-12-4-2-3-5-14(12)20(19-15)9-10-6-7-11(17)8-13(10)18/h2-8H,9H2,1H3.
What are the key properties of methyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate?
methyl 1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate has a molecular weight of 302.28 g/mol, XLogP of 3.15, 3 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]indazole-3-carboxylate is sourced from PubChem (CID 66871830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).