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

C15H12BrN3O2 — CID 118670616

IUPACmethyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C)n1
InChIInChI=1S/C15H12BrN3O2/c1-9-4-3-5-14(18-9)19-13-7-10(16)6-11(15(20)21-2)12(13)8-17-19/h3-8H,1-2H3
InChIKeyNMCACBCMIRRXAU-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.28
Rot. Bonds2

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

methyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate (PubChem CID 118670616) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is methyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate
PubChem CID118670616
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Namemethyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C)n1
InChIInChI=1S/C15H12BrN3O2/c1-9-4-3-5-14(18-9)19-13-7-10(16)6-11(15(20)21-2)12(13)8-17-19/h3-8H,1-2H3
InChIKeyNMCACBCMIRRXAU-UHFFFAOYSA-N
XLogP3.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate?
The IUPAC name of methyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate (CID 118670616) is methyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate.
What is the SMILES notation for methyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate?
The canonical SMILES for methyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate is COC(=O)c1cc(Br)cc2c1cnn2-c1cccc(C)n1.
What is the InChIKey of methyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate?
The InChIKey is NMCACBCMIRRXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-9-4-3-5-14(18-9)19-13-7-10(16)6-11(15(20)21-2)12(13)8-17-19/h3-8H,1-2H3.
What are the key properties of methyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate?
methyl 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylate has a molecular weight of 346.18 g/mol, XLogP of 3.28, 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-methyl-2-pyridinyl)indazole-4-carboxylate is sourced from PubChem (CID 118670616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).