[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol

C13H10BrN3O — CID 130247343

IUPAC[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol
SMILESOCc1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H10BrN3O/c14-10-5-4-9-7-15-17(12(9)6-10)13-3-1-2-11(8-18)16-13/h1-7,18H,8H2
InChIKeyCUVAODQAKHZOOO-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.68
Rot. Bonds2

About [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol

[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol (PubChem CID 130247343) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol
PubChem CID130247343
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol
SMILESOCc1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H10BrN3O/c14-10-5-4-9-7-15-17(12(9)6-10)13-3-1-2-11(8-18)16-13/h1-7,18H,8H2
InChIKeyCUVAODQAKHZOOO-UHFFFAOYSA-N
XLogP2.68
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol (CID 130247343) is [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol is OCc1cccc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is CUVAODQAKHZOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-10-5-4-9-7-15-17(12(9)6-10)13-3-1-2-11(8-18)16-13/h1-7,18H,8H2.
What are the key properties of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol?
[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 304.15 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 130247343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).