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

C15H14BrN3O2 — CID 118664142

IUPAC[6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol
SMILESCCOc1cc(Br)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C15H14BrN3O2/c1-2-21-14-7-10(16)6-13-12(14)8-17-19(13)15-5-3-4-11(9-20)18-15/h3-8,20H,2,9H2,1H3
InChIKeyLABNQEDGHUIGRR-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.07
Rot. Bonds4

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

[6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol (PubChem CID 118664142) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is [6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol
PubChem CID118664142
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name[6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol
SMILESCCOc1cc(Br)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C15H14BrN3O2/c1-2-21-14-7-10(16)6-13-12(14)8-17-19(13)15-5-3-4-11(9-20)18-15/h3-8,20H,2,9H2,1H3
InChIKeyLABNQEDGHUIGRR-UHFFFAOYSA-N
XLogP3.07
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol (CID 118664142) is [6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol is CCOc1cc(Br)cc2c1cnn2-c1cccc(CO)n1.
What is the InChIKey of [6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is LABNQEDGHUIGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-2-21-14-7-10(16)6-13-12(14)8-17-19(13)15-5-3-4-11(9-20)18-15/h3-8,20H,2,9H2,1H3.
What are the key properties of [6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol?
[6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 348.20 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 118664142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).