3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one

C12H11BrN2O2 — CID 114761443

IUPAC3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one
SMILESCOc1ncccc1Cn1cccc(Br)c1=O
InChIInChI=1S/C12H11BrN2O2/c1-17-11-9(4-2-6-14-11)8-15-7-3-5-10(13)12(15)16/h2-7H,8H2,1H3
InChIKeySOZVDSUVLJROII-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.06
Rot. Bonds3

About 3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one

3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one (PubChem CID 114761443) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one
PubChem CID114761443
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one
SMILESCOc1ncccc1Cn1cccc(Br)c1=O
InChIInChI=1S/C12H11BrN2O2/c1-17-11-9(4-2-6-14-11)8-15-7-3-5-10(13)12(15)16/h2-7H,8H2,1H3
InChIKeySOZVDSUVLJROII-UHFFFAOYSA-N
XLogP2.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one
CID 114761524
3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 136535535
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033
3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one
CID 114760822
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-bromopyridin-2-one
CID 114760634
1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
CID 102909917
2-[(3-bromo-2-oxo-1-pyridinyl)methyl]benzonitrile
CID 82147056
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine
CID 102913706
(3aS,6aR)-1-[(2-methoxy-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 124789131
6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
CID 116620449
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one
CID 63172479

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one (CID 114761443) is 3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one is COc1ncccc1Cn1cccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one?
The InChIKey is SOZVDSUVLJROII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-17-11-9(4-2-6-14-11)8-15-7-3-5-10(13)12(15)16/h2-7H,8H2,1H3.
What are the key properties of 3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one?
3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one has a molecular weight of 295.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 114761443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).