1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol

C10H14BrNO3S — CID 59525584

IUPAC1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol
SMILESCC(C)(O)CS(=O)(=O)Cc1cccc(Br)n1
InChIInChI=1S/C10H14BrNO3S/c1-10(2,13)7-16(14,15)6-8-4-3-5-9(11)12-8/h3-5,13H,6-7H2,1-2H3
InChIKeyRPPMZEHESZANMJ-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.53
Rot. Bonds4

About 1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol

1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol (PubChem CID 59525584) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol
PubChem CID59525584
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol
SMILESCC(C)(O)CS(=O)(=O)Cc1cccc(Br)n1
InChIInChI=1S/C10H14BrNO3S/c1-10(2,13)7-16(14,15)6-8-4-3-5-9(11)12-8/h3-5,13H,6-7H2,1-2H3
InChIKeyRPPMZEHESZANMJ-UHFFFAOYSA-N
XLogP1.53
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(6-bromo-2-pyridinyl)methyl]-N-propan-2-ylcarbamate
CID 87834368
3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol
CID 112582471
[6-(sulfomethyl)-2-pyridinyl]methanesulfonic acid
CID 118861855
6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxylic acid
CID 106903850
N-[(6-bromo-2-pyridinyl)methyl]-2-ethylsulfonylaniline
CID 115938075
[1-(6-bromo-2-pyridinyl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 87536504
2-bromo-6-(methylsulfanylmethyl)pyridine
CID 59526020
2-bromo-6-(methylsulfanyloxymethyl)pyridine
CID 89441575
2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115938117
N-[(6-bromo-2-pyridinyl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 115937982
N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide
CID 112581693
1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 160912939

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol (CID 59525584) is 1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol is CC(C)(O)CS(=O)(=O)Cc1cccc(Br)n1.
What is the InChIKey of 1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol?
The InChIKey is RPPMZEHESZANMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-10(2,13)7-16(14,15)6-8-4-3-5-9(11)12-8/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol?
1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol has a molecular weight of 308.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol is sourced from PubChem (CID 59525584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).