[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol

C13H9BrFN3O — CID 118663841

IUPAC[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
SMILESOCc1cccc(-n2ncc3c(F)cc(Br)cc32)n1
InChIInChI=1S/C13H9BrFN3O/c14-8-4-11(15)10-6-16-18(12(10)5-8)13-3-1-2-9(7-19)17-13/h1-6,19H,7H2
InChIKeyREAJROIRTUUDPJ-UHFFFAOYSA-N
MW322.14 g/mol
LogP2.81
Rot. Bonds2

About [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol

[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol (PubChem CID 118663841) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
PubChem CID118663841
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
SMILESOCc1cccc(-n2ncc3c(F)cc(Br)cc32)n1
InChIInChI=1S/C13H9BrFN3O/c14-8-4-11(15)10-6-16-18(12(10)5-8)13-3-1-2-9(7-19)17-13/h1-6,19H,7H2
InChIKeyREAJROIRTUUDPJ-UHFFFAOYSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol (CID 118663841) is [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol is OCc1cccc(-n2ncc3c(F)cc(Br)cc32)n1.
What is the InChIKey of [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is REAJROIRTUUDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c14-8-4-11(15)10-6-16-18(12(10)5-8)13-3-1-2-9(7-19)17-13/h1-6,19H,7H2.
What are the key properties of [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol?
[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 322.14 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 118663841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).