6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole

C13H9BrFN3 — CID 118664475

IUPAC6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole
SMILESCc1cccc(-n2ncc3cc(F)c(Br)cc32)n1
InChIInChI=1S/C13H9BrFN3/c1-8-3-2-4-13(17-8)18-12-6-10(14)11(15)5-9(12)7-16-18/h2-7H,1H3
InChIKeyHQBZPBJROIJSGK-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.63
Rot. Bonds1

About 6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole

6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole (PubChem CID 118664475) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole
PubChem CID118664475
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole
SMILESCc1cccc(-n2ncc3cc(F)c(Br)cc32)n1
InChIInChI=1S/C13H9BrFN3/c1-8-3-2-4-13(17-8)18-12-6-10(14)11(15)5-9(12)7-16-18/h2-7H,1H3
InChIKeyHQBZPBJROIJSGK-UHFFFAOYSA-N
XLogP3.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole?
The IUPAC name of 6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole (CID 118664475) is 6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole.
What is the SMILES notation for 6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole?
The canonical SMILES for 6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole is Cc1cccc(-n2ncc3cc(F)c(Br)cc32)n1.
What is the InChIKey of 6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole?
The InChIKey is HQBZPBJROIJSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c1-8-3-2-4-13(17-8)18-12-6-10(14)11(15)5-9(12)7-16-18/h2-7H,1H3.
What are the key properties of 6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole?
6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole has a molecular weight of 306.14 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole is sourced from PubChem (CID 118664475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).