(2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one

C11H10BrNO — CID 76764238

IUPAC(2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one
SMILESO=C1C=CN[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C11H10BrNO/c12-10-4-2-1-3-9(10)11-7-8(14)5-6-13-11/h1-6,11,13H,7H2/t11-/m1/s1
InChIKeyXJZTXPHCWPHOIE-LLVKDONJSA-N
MW252.11 g/mol
LogP2.57
Rot. Bonds1

About (2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one

(2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one (PubChem CID 76764238) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is (2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name(2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one
PubChem CID76764238
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name(2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one
SMILESO=C1C=CN[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C11H10BrNO/c12-10-4-2-1-3-9(10)11-7-8(14)5-6-13-11/h1-6,11,13H,7H2/t11-/m1/s1
InChIKeyXJZTXPHCWPHOIE-LLVKDONJSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one
CID 14943005
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(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
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(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
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4-(2-bromophenyl)piperidin-2-one
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CID 116979261
4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one
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CID 115036967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of (2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one (CID 76764238) is (2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for (2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for (2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one is O=C1C=CN[C@@H](c2ccccc2Br)C1.
What is the InChIKey of (2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is XJZTXPHCWPHOIE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-10-4-2-1-3-9(10)11-7-8(14)5-6-13-11/h1-6,11,13H,7H2/t11-/m1/s1.
What are the key properties of (2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one?
(2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 252.11 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenyl)-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 76764238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).