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

C16H16BrN3O4S — CID 118663650

IUPAC[6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol
SMILESCS(=O)(=O)CCOc1cc(Br)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C16H16BrN3O4S/c1-25(22,23)6-5-24-15-8-11(17)7-14-13(15)9-18-20(14)16-4-2-3-12(10-21)19-16/h2-4,7-9,21H,5-6,10H2,1H3
InChIKeyKYJQACFDQIQBTB-UHFFFAOYSA-N
MW426.29 g/mol
LogP2.10
Rot. Bonds6

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

[6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663650) has the molecular formula C16H16BrN3O4S and a molecular weight of 426.29 g/mol. Its IUPAC name is [6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663650
Molecular FormulaC16H16BrN3O4S
Molecular Weight426.29 g/mol
Exact Mass425.00
IUPAC Name[6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol
SMILESCS(=O)(=O)CCOc1cc(Br)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C16H16BrN3O4S/c1-25(22,23)6-5-24-15-8-11(17)7-14-13(15)9-18-20(14)16-4-2-3-12(10-21)19-16/h2-4,7-9,21H,5-6,10H2,1H3
InChIKeyKYJQACFDQIQBTB-UHFFFAOYSA-N
XLogP2.10
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol (CID 118663650) is [6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol is CS(=O)(=O)CCOc1cc(Br)cc2c1cnn2-c1cccc(CO)n1.
What is the InChIKey of [6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is KYJQACFDQIQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O4S/c1-25(22,23)6-5-24-15-8-11(17)7-14-13(15)9-18-20(14)16-4-2-3-12(10-21)19-16/h2-4,7-9,21H,5-6,10H2,1H3.
What are the key properties of [6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 426.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-bromo-4-(2-methylsulfonylethoxy)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).