methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

C15H9BrF3N3O2 — CID 118664683

IUPACmethyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H9BrF3N3O2/c1-24-14(23)9-5-8(16)6-11-10(9)7-20-22(11)13-4-2-3-12(21-13)15(17,18)19/h2-7H,1H3
InChIKeyOHPWGRUIJNVVIC-UHFFFAOYSA-N
MW400.15 g/mol
LogP3.99
Rot. Bonds2

About methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (PubChem CID 118664683) has the molecular formula C15H9BrF3N3O2 and a molecular weight of 400.15 g/mol. Its IUPAC name is methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
PubChem CID118664683
Molecular FormulaC15H9BrF3N3O2
Molecular Weight400.15 g/mol
Exact Mass398.98
IUPAC Namemethyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H9BrF3N3O2/c1-24-14(23)9-5-8(16)6-11-10(9)7-20-22(11)13-4-2-3-12(21-13)15(17,18)19/h2-7H,1H3
InChIKeyOHPWGRUIJNVVIC-UHFFFAOYSA-N
XLogP3.99
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 6-(6-bromo-1h-indazol-1-yl)pyridine-2-carboxylate
CID 118664098
6-bromo-1-(4-fluoro-phenyl)-1H-indazole-4-carboxylic acid methyl ester
CID 58138773
5-Bromo-2-[2-(2,3-difluoro-phenyl)-imidazo[4,5-d]pyridazin-5-ylmethyl]-benzoic acid methyl ester
CID 68894164
methyl 1-[3-bromo-5-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 117923773
Methyl 6-bromo-2-[6-(trifluoromethyl)pyridin-2-yl]indazole-4-carboxylate
CID 118663747
Methyl 3-amino-5-[1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]benzoate
CID 118664387
Methyl 4-fluoro-1-(4-methyl-2-pyridinyl)indazole-3-carboxylate
CID 123427525
Methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]indazole-4-carboxylate
CID 140798268
Methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)pyridin-2-yl]indazole-4-carboxylate
CID 140798491
Methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate
CID 156889989
Methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate
CID 175345200
Methyl 5-[4-amino-3-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3-bromo-2-fluorobenzoate
CID 178132416

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The IUPAC name of methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (CID 118664683) is methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.
What is the SMILES notation for methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The canonical SMILES for methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is COC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C(F)(F)F)n1.
What is the InChIKey of methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The InChIKey is OHPWGRUIJNVVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N3O2/c1-24-14(23)9-5-8(16)6-11-10(9)7-20-22(11)13-4-2-3-12(21-13)15(17,18)19/h2-7H,1H3.
What are the key properties of methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate has a molecular weight of 400.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is sourced from PubChem (CID 118664683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).