methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate

C15H10F3N3O2 — CID 90252764

IUPACmethyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1cnn2-c1cncc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N3O2/c1-23-14(22)11-3-2-4-13-12(11)8-20-21(13)10-5-9(6-19-7-10)15(16,17)18/h2-8H,1H3
InChIKeyMYCHFLYGBHHZTN-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.23
Rot. Bonds2

About methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate

methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate (PubChem CID 90252764) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate
PubChem CID90252764
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Namemethyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1cnn2-c1cncc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N3O2/c1-23-14(22)11-3-2-4-13-12(11)8-20-21(13)10-5-9(6-19-7-10)15(16,17)18/h2-8H,1H3
InChIKeyMYCHFLYGBHHZTN-UHFFFAOYSA-N
XLogP3.23
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate?
The IUPAC name of methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate (CID 90252764) is methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate.
What is the SMILES notation for methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate?
The canonical SMILES for methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate is COC(=O)c1cccc2c1cnn2-c1cncc(C(F)(F)F)c1.
What is the InChIKey of methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate?
The InChIKey is MYCHFLYGBHHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-23-14(22)11-3-2-4-13-12(11)8-20-21(13)10-5-9(6-19-7-10)15(16,17)18/h2-8H,1H3.
What are the key properties of methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate?
methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate has a molecular weight of 321.26 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-(trifluoromethyl)-3-pyridinyl]indazole-4-carboxylate is sourced from PubChem (CID 90252764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).