1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one

C12H11BrN2O — CID 177191287

IUPAC1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(CBr)cn1
InChIInChI=1S/C12H11BrN2O/c13-7-10-4-5-11(14-8-10)9-15-6-2-1-3-12(15)16/h1-6,8H,7,9H2
InChIKeyJOYHBDLUMXMECS-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.19
Rot. Bonds3

About 1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one

1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one (PubChem CID 177191287) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one
PubChem CID177191287
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(CBr)cn1
InChIInChI=1S/C12H11BrN2O/c13-7-10-4-5-11(14-8-10)9-15-6-2-1-3-12(15)16/h1-6,8H,7,9H2
InChIKeyJOYHBDLUMXMECS-UHFFFAOYSA-N
XLogP2.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one
CID 21219225
ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium
CID 177234828
1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one
CID 62208669
1-(1,3-thiazol-4-ylmethyl)pyridin-2-one
CID 115582456
1-(pyridin-4-ylmethyl)pyridin-2-one
CID 112684898
1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one
CID 67920631
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-2-one
CID 673233
1-[[4-(chloromethyl)phenyl]methyl]pyridin-2-one;1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 158637113
ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate
CID 177191307
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809229
1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one
CID 82907033
1-[[bromo(dimethyl)silyl]methyl]pyridin-2-one
CID 15448274

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one (CID 177191287) is 1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one is O=c1ccccn1Cc1ccc(CBr)cn1.
What is the InChIKey of 1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one?
The InChIKey is JOYHBDLUMXMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-7-10-4-5-11(14-8-10)9-15-6-2-1-3-12(15)16/h1-6,8H,7,9H2.
What are the key properties of 1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one?
1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one has a molecular weight of 279.14 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one is sourced from PubChem (CID 177191287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).