(2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone

C11H9BrFNO — CID 131086480

IUPAC(2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(c1cccc(F)c1Br)N1CC=CC1
InChIInChI=1S/C11H9BrFNO/c12-10-8(4-3-5-9(10)13)11(15)14-6-1-2-7-14/h1-5H,6-7H2
InChIKeyQDZGRAPFKKMMRZ-UHFFFAOYSA-N
MW270.10 g/mol
LogP2.60
Rot. Bonds1

About (2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone

(2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone (PubChem CID 131086480) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone
PubChem CID131086480
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name(2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(c1cccc(F)c1Br)N1CC=CC1
InChIInChI=1S/C11H9BrFNO/c12-10-8(4-3-5-9(10)13)11(15)14-6-1-2-7-14/h1-5H,6-7H2
InChIKeyQDZGRAPFKKMMRZ-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 102932978
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methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
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1-(2-bromo-3-fluorophenyl)-3-chloropropan-1-one
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(4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone
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(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone (CID 131086480) is (2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone is O=C(c1cccc(F)c1Br)N1CC=CC1.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is QDZGRAPFKKMMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c12-10-8(4-3-5-9(10)13)11(15)14-6-1-2-7-14/h1-5H,6-7H2.
What are the key properties of (2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone?
(2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 270.10 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 131086480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).