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

C11H7BrFNO — CID 107949876

IUPAC(3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1cccc(Br)c1F
InChIInChI=1S/C11H7BrFNO/c12-8-4-1-3-7(10(8)13)11(15)9-5-2-6-14-9/h1-6,14H
InChIKeyHQIJBGTVWMCWIT-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.15
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone

(3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 107949876) has the molecular formula C11H7BrFNO and a molecular weight of 268.08 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone
PubChem CID107949876
Molecular FormulaC11H7BrFNO
Molecular Weight268.08 g/mol
Exact Mass266.97
IUPAC Name(3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1cccc(Br)c1F
InChIInChI=1S/C11H7BrFNO/c12-8-4-1-3-7(10(8)13)11(15)9-5-2-6-14-9/h1-6,14H
InChIKeyHQIJBGTVWMCWIT-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

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CID 107949788
(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
5-(3-bromo-2-fluorobenzoyl)furan-2-carboxylic acid
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(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
CID 106647329
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone (CID 107949876) is (3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is HQIJBGTVWMCWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO/c12-8-4-1-3-7(10(8)13)11(15)9-5-2-6-14-9/h1-6,14H.
What are the key properties of (3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone?
(3-bromo-2-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 (3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 107949876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).