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

C10H12BrFN2O — CID 104924643

IUPAC1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C10H12BrFN2O/c1-10(15)2-3-14(6-10)9-8(12)4-7(11)5-13-9/h4-5,15H,2-3,6H2,1H3
InChIKeyWDBZGPNYVXXMDX-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.94
Rot. Bonds1

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

1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol (PubChem CID 104924643) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
PubChem CID104924643
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C10H12BrFN2O/c1-10(15)2-3-14(6-10)9-8(12)4-7(11)5-13-9/h4-5,15H,2-3,6H2,1H3
InChIKeyWDBZGPNYVXXMDX-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
CID 103738622
4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine
CID 104924680
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103725154
1-(5-bromo-3-fluoro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561906
1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356760
4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one
CID 104918758
5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 107393029
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 166601581
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol (CID 104924643) is 1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2ncc(Br)cc2F)C1.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol?
The InChIKey is WDBZGPNYVXXMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-10(15)2-3-14(6-10)9-8(12)4-7(11)5-13-9/h4-5,15H,2-3,6H2,1H3.
What are the key properties of 1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol?
1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol has a molecular weight of 275.12 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 104924643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).