(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C11H13BrN2O2 — CID 103727006

IUPAC(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C11H13BrN2O2/c1-11(16)4-5-14(7-11)10(15)9-3-2-8(12)6-13-9/h2-3,6,16H,4-5,7H2,1H3
InChIKeyNXXOAVCIQXIZHK-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.44
Rot. Bonds1

About (5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103727006) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103727006
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C11H13BrN2O2/c1-11(16)4-5-14(7-11)10(15)9-3-2-8(12)6-13-9/h2-3,6,16H,4-5,7H2,1H3
InChIKeyNXXOAVCIQXIZHK-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103727006) is (5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)c2ccc(Br)cn2)C1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is NXXOAVCIQXIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-11(16)4-5-14(7-11)10(15)9-3-2-8(12)6-13-9/h2-3,6,16H,4-5,7H2,1H3.
What are the key properties of (5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 285.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103727006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).