(5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone

C12H11BrN2O — CID 68801466

IUPAC(5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cncc(Br)c2)[nH]1
InChIInChI=1S/C12H11BrN2O/c1-2-10-3-4-11(15-10)12(16)8-5-9(13)7-14-6-8/h3-7,15H,2H2,1H3
InChIKeyPUEUNDCRLGTUSH-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.97
Rot. Bonds3

About (5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone

(5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone (PubChem CID 68801466) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone
PubChem CID68801466
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name(5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cncc(Br)c2)[nH]1
InChIInChI=1S/C12H11BrN2O/c1-2-10-3-4-11(15-10)12(16)8-5-9(13)7-14-6-8/h3-7,15H,2H2,1H3
InChIKeyPUEUNDCRLGTUSH-UHFFFAOYSA-N
XLogP2.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(5-bromo-3-pyridinyl)methanone
CID 150630113
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
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CID 47423228
(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 43167215
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
(5-bromo-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63873857
(5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone
CID 68535238
1-(5-bromo-3-pyridinyl)-2-methylpropan-1-one
CID 20782622
(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone
CID 43167259
(5-bromo-3-pyridinyl)-[2,4-di(propan-2-yl)phenyl]methanone
CID 43338072
1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone
CID 130601241
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone
CID 43338956

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone (CID 68801466) is (5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone is CCc1ccc(C(=O)c2cncc(Br)c2)[nH]1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is PUEUNDCRLGTUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-2-10-3-4-11(15-10)12(16)8-5-9(13)7-14-6-8/h3-7,15H,2H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone?
(5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 279.14 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 68801466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).