7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C15H14BrFN2O2 — CID 146270423

IUPAC7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1c2cc(Br)cn2CCN1Cc1cc(F)ccc1CO
InChIInChI=1S/C15H14BrFN2O2/c16-12-6-14-15(21)19(4-3-18(14)8-12)7-11-5-13(17)2-1-10(11)9-20/h1-2,5-6,8,20H,3-4,7,9H2
InChIKeyMPOULCZQEQPTAU-UHFFFAOYSA-N
MW353.19 g/mol
LogP2.54
Rot. Bonds3

About 7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 146270423) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID146270423
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1c2cc(Br)cn2CCN1Cc1cc(F)ccc1CO
InChIInChI=1S/C15H14BrFN2O2/c16-12-6-14-15(21)19(4-3-18(14)8-12)7-11-5-13(17)2-1-10(11)9-20/h1-2,5-6,8,20H,3-4,7,9H2
InChIKeyMPOULCZQEQPTAU-UHFFFAOYSA-N
XLogP2.54
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorobenzyl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3237550
3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one
CID 5307393
2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 134942833
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 71855705
4-bromo-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 72128106
5-bromo-N-(4-fluoro-3-(hydroxymethyl)phenyl)picolinamide
CID 90238784
4-bromo-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 110888783
1-[(4-bromo-5-fluoropyridin-2-yl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361880
1-[(3-bromo-5-fluoropyridin-2-yl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121362187
2-[(4-bromo-5-fluoro-2-pyridinyl)methyl]-3-hydroxy-3H-isoindol-1-one
CID 139563717
6-Bromo-3-(4-fluorophenyl)-3-hydroxy-2-[(5-methyl-2-pyridinyl)methyl]isoindol-1-one
CID 145283116
methyl 2-[2-[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]ethyl]-4-fluorobenzoate
CID 146268586

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 146270423) is 7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is O=C1c2cc(Br)cn2CCN1Cc1cc(F)ccc1CO.
What is the InChIKey of 7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is MPOULCZQEQPTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-12-6-14-15(21)19(4-3-18(14)8-12)7-11-5-13(17)2-1-10(11)9-20/h1-2,5-6,8,20H,3-4,7,9H2.
What are the key properties of 7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 353.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 146270423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).