3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol

C10H13BrFNO — CID 90350629

IUPAC3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(Br)cn1)C(O)CF
InChIInChI=1S/C10H13BrFNO/c1-10(2,9(14)5-12)8-4-3-7(11)6-13-8/h3-4,6,9,14H,5H2,1-2H3
InChIKeyIEIQHXGGALFTHN-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.45
Rot. Bonds3

About 3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol

3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol (PubChem CID 90350629) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol
PubChem CID90350629
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(Br)cn1)C(O)CF
InChIInChI=1S/C10H13BrFNO/c1-10(2,9(14)5-12)8-4-3-7(11)6-13-8/h3-4,6,9,14H,5H2,1-2H3
InChIKeyIEIQHXGGALFTHN-UHFFFAOYSA-N
XLogP2.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol (CID 90350629) is 3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol is CC(C)(c1ccc(Br)cn1)C(O)CF.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol?
The InChIKey is IEIQHXGGALFTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-10(2,9(14)5-12)8-4-3-7(11)6-13-8/h3-4,6,9,14H,5H2,1-2H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol?
3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol has a molecular weight of 262.12 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-1-fluoro-3-methylbutan-2-ol is sourced from PubChem (CID 90350629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).