methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate

C15H9BrN4O2 — CID 118664539

IUPACmethyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C#N)n1
InChIInChI=1S/C15H9BrN4O2/c1-22-15(21)11-5-9(16)6-13-12(11)8-18-20(13)14-4-2-3-10(7-17)19-14/h2-6,8H,1H3
InChIKeyWOZNWYDROLYXBY-UHFFFAOYSA-N
MW357.17 g/mol
LogP2.84
Rot. Bonds2

About methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate

methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate (PubChem CID 118664539) has the molecular formula C15H9BrN4O2 and a molecular weight of 357.17 g/mol. Its IUPAC name is methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate
PubChem CID118664539
Molecular FormulaC15H9BrN4O2
Molecular Weight357.17 g/mol
Exact Mass355.99
IUPAC Namemethyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C#N)n1
InChIInChI=1S/C15H9BrN4O2/c1-22-15(21)11-5-9(16)6-13-12(11)8-18-20(13)14-4-2-3-10(7-17)19-14/h2-6,8H,1H3
InChIKeyWOZNWYDROLYXBY-UHFFFAOYSA-N
XLogP2.84
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate?
The IUPAC name of methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate (CID 118664539) is methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate.
What is the SMILES notation for methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate?
The canonical SMILES for methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate is COC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C#N)n1.
What is the InChIKey of methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate?
The InChIKey is WOZNWYDROLYXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4O2/c1-22-15(21)11-5-9(16)6-13-12(11)8-18-20(13)14-4-2-3-10(7-17)19-14/h2-6,8H,1H3.
What are the key properties of methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate?
methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate has a molecular weight of 357.17 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate is sourced from PubChem (CID 118664539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).