(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone

C11H7BrFNO — CID 114558735

IUPAC(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1c(F)cccc1Br
InChIInChI=1S/C11H7BrFNO/c12-7-3-1-4-8(13)10(7)11(15)9-5-2-6-14-9/h1-6,14H
InChIKeyFWQREEGXCIIOLE-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.15
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone

(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 114558735) has the molecular formula C11H7BrFNO and a molecular weight of 268.08 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone
PubChem CID114558735
Molecular FormulaC11H7BrFNO
Molecular Weight268.08 g/mol
Exact Mass266.97
IUPAC Name(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1c(F)cccc1Br
InChIInChI=1S/C11H7BrFNO/c12-7-3-1-4-8(13)10(7)11(15)9-5-2-6-14-9/h1-6,14H
InChIKeyFWQREEGXCIIOLE-UHFFFAOYSA-N
XLogP3.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
CID 114558647
(3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 107949876
(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
CID 10198128
(2-bromo-6-fluorophenyl)-(5-bromofuran-2-yl)methanone
CID 114558761
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
1-(2-bromo-6-fluorophenyl)prop-2-en-1-one
CID 114885459
(2-bromo-6-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 114558734
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone
CID 114561157
(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102647070
(3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 82874621

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone (CID 114558735) is (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is FWQREEGXCIIOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO/c12-7-3-1-4-8(13)10(7)11(15)9-5-2-6-14-9/h1-6,14H.
What are the key properties of (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 268.08 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 114558735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).