6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole

C13H9BrFN3 — CID 130247330

IUPAC6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole
SMILESFCc1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H9BrFN3/c14-10-5-4-9-8-16-18(12(9)6-10)13-3-1-2-11(7-15)17-13/h1-6,8H,7H2
InChIKeyFYZUBVAFMDSOCS-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.65
Rot. Bonds2

About 6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole

6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole (PubChem CID 130247330) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Name6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole
PubChem CID130247330
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole
SMILESFCc1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H9BrFN3/c14-10-5-4-9-8-16-18(12(9)6-10)13-3-1-2-11(7-15)17-13/h1-6,8H,7H2
InChIKeyFYZUBVAFMDSOCS-UHFFFAOYSA-N
XLogP3.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole?
The IUPAC name of 6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole (CID 130247330) is 6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole.
What is the SMILES notation for 6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole?
The canonical SMILES for 6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole is FCc1cccc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole?
The InChIKey is FYZUBVAFMDSOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c14-10-5-4-9-8-16-18(12(9)6-10)13-3-1-2-11(7-15)17-13/h1-6,8H,7H2.
What are the key properties of 6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole?
6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole has a molecular weight of 306.14 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole is sourced from PubChem (CID 130247330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).