[5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol

C10H15BrN2O3S — CID 79849578

IUPAC[5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol
SMILESCN(CCS(C)(=O)=O)c1ncc(Br)cc1CO
InChIInChI=1S/C10H15BrN2O3S/c1-13(3-4-17(2,15)16)10-8(7-14)5-9(11)6-12-10/h5-6,14H,3-4,7H2,1-2H3
InChIKeyILFSOEDPCHFJMZ-UHFFFAOYSA-N
MW323.21 g/mol
LogP0.82
Rot. Bonds5

About [5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol

[5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol (PubChem CID 79849578) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is [5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol
PubChem CID79849578
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name[5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol
SMILESCN(CCS(C)(=O)=O)c1ncc(Br)cc1CO
InChIInChI=1S/C10H15BrN2O3S/c1-13(3-4-17(2,15)16)10-8(7-14)5-9(11)6-12-10/h5-6,14H,3-4,7H2,1-2H3
InChIKeyILFSOEDPCHFJMZ-UHFFFAOYSA-N
XLogP0.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol (CID 79849578) is [5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol is CN(CCS(C)(=O)=O)c1ncc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol?
The InChIKey is ILFSOEDPCHFJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-13(3-4-17(2,15)16)10-8(7-14)5-9(11)6-12-10/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of [5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol?
[5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol has a molecular weight of 323.21 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 79849578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).