1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone

C10H12BrN3O — CID 118079168

IUPAC1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone
SMILESCC(=O)N1c2ccc(Br)nc2NCC1C
InChIInChI=1S/C10H12BrN3O/c1-6-5-12-10-8(14(6)7(2)15)3-4-9(11)13-10/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyTYHDENDFIDTTEN-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.01
Rot. Bonds

About 1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone

1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone (PubChem CID 118079168) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone
PubChem CID118079168
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone
SMILESCC(=O)N1c2ccc(Br)nc2NCC1C
InChIInChI=1S/C10H12BrN3O/c1-6-5-12-10-8(14(6)7(2)15)3-4-9(11)13-10/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyTYHDENDFIDTTEN-UHFFFAOYSA-N
XLogP2.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 82391759
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
benzyl N-[(3R,4R)-1-acetyl-6-bromo-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-4-yl]carbamate
CID 130202647
5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 123852801
1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 162374357
1-(6-bromo-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691094
1-[4-acetyl-3-methyl-7-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123591534
1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 147497447
1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 45120188
1-(5-acetyl-4-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 23241545
1-[(2S)-2-methyl-6-(4-methylsulfonylphenyl)-4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079753

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone?
The IUPAC name of 1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone (CID 118079168) is 1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone.
What is the SMILES notation for 1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone?
The canonical SMILES for 1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone is CC(=O)N1c2ccc(Br)nc2NCC1C.
What is the InChIKey of 1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone?
The InChIKey is TYHDENDFIDTTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-6-5-12-10-8(14(6)7(2)15)3-4-9(11)13-10/h3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of 1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone?
1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone has a molecular weight of 270.13 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone is sourced from PubChem (CID 118079168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).