5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one

C12H11BrClN3O — CID 104505852

IUPAC5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one
SMILESCc1c(N)cn(Cc2ccncc2Cl)c(=O)c1Br
InChIInChI=1S/C12H11BrClN3O/c1-7-10(15)6-17(12(18)11(7)13)5-8-2-3-16-4-9(8)14/h2-4,6H,5,15H2,1H3
InChIKeyHJFCRAMNFHPLCE-UHFFFAOYSA-N
MW328.60 g/mol
LogP2.60
Rot. Bonds2

About 5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one

5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one (PubChem CID 104505852) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one
PubChem CID104505852
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one
SMILESCc1c(N)cn(Cc2ccncc2Cl)c(=O)c1Br
InChIInChI=1S/C12H11BrClN3O/c1-7-10(15)6-17(12(18)11(7)13)5-8-2-3-16-4-9(8)14/h2-4,6H,5,15H2,1H3
InChIKeyHJFCRAMNFHPLCE-UHFFFAOYSA-N
XLogP2.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpyridin-2-one
CID 104505777
5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104797243
5-bromo-3-[(3-chloro-4-pyridinyl)methyl]pyrimidin-4-one
CID 66310203
5-amino-3-bromo-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505889
5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 104505773
5-amino-3-bromo-1-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505695
4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
CID 114480903
5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one
CID 104505818
6-chloro-3-[(3-chloro-4-pyridinyl)methyl]-5-iodopyrimidin-4-one
CID 114583947
5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
CID 104505797
5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 104505753
1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
CID 116618712

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one (CID 104505852) is 5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one is Cc1c(N)cn(Cc2ccncc2Cl)c(=O)c1Br.
What is the InChIKey of 5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one?
The InChIKey is HJFCRAMNFHPLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-7-10(15)6-17(12(18)11(7)13)5-8-2-3-16-4-9(8)14/h2-4,6H,5,15H2,1H3.
What are the key properties of 5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one?
5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one has a molecular weight of 328.60 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 104505852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).