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

C13H8BrF2N3 — CID 130246967

IUPAC6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole
SMILESFC(F)c1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H8BrF2N3/c14-9-5-4-8-7-17-19(11(8)6-9)12-3-1-2-10(18-12)13(15)16/h1-7,13H
InChIKeyRZVHYPPIXGJMRY-UHFFFAOYSA-N
MW324.13 g/mol
LogP4.12
Rot. Bonds2

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

6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole (PubChem CID 130246967) has the molecular formula C13H8BrF2N3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Name6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole
PubChem CID130246967
Molecular FormulaC13H8BrF2N3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole
SMILESFC(F)c1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H8BrF2N3/c14-9-5-4-8-7-17-19(11(8)6-9)12-3-1-2-10(18-12)13(15)16/h1-7,13H
InChIKeyRZVHYPPIXGJMRY-UHFFFAOYSA-N
XLogP4.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 54.12
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-(difluoromethyl)-2-pyridinyl]indazole?
The IUPAC name of 6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole (CID 130246967) is 6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole.
What is the SMILES notation for 6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole?
The canonical SMILES for 6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole is FC(F)c1cccc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole?
The InChIKey is RZVHYPPIXGJMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3/c14-9-5-4-8-7-17-19(11(8)6-9)12-3-1-2-10(18-12)13(15)16/h1-7,13H.
What are the key properties of 6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole?
6-bromo-1-[6-(difluoromethyl)-2-pyridinyl]indazole has a molecular weight of 324.13 g/mol, XLogP of 4.12, 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-(difluoromethyl)-2-pyridinyl]indazole is sourced from PubChem (CID 130246967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).