1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone

C11H7BrClNO2 — CID 106854794

IUPAC1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESO=C(Cc1ccncc1Cl)c1ccoc1Br
InChIInChI=1S/C11H7BrClNO2/c12-11-8(2-4-16-11)10(15)5-7-1-3-14-6-9(7)13/h1-4,6H,5H2
InChIKeyFBFSHCVYTIJAET-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.52
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone

1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone (PubChem CID 106854794) has the molecular formula C11H7BrClNO2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone
PubChem CID106854794
Molecular FormulaC11H7BrClNO2
Molecular Weight300.54 g/mol
Exact Mass298.93
IUPAC Name1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESO=C(Cc1ccncc1Cl)c1ccoc1Br
InChIInChI=1S/C11H7BrClNO2/c12-11-8(2-4-16-11)10(15)5-7-1-3-14-6-9(7)13/h1-4,6H,5H2
InChIKeyFBFSHCVYTIJAET-UHFFFAOYSA-N
XLogP3.52
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655296
1-(4-bromo-3,5-dimethylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 114329680
2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone
CID 112655394
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 112655384
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533419
1-(3-amino-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116604299
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106854830
1-(2-bromofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106854606

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone (CID 106854794) is 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone is O=C(Cc1ccncc1Cl)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone?
The InChIKey is FBFSHCVYTIJAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2/c12-11-8(2-4-16-11)10(15)5-7-1-3-14-6-9(7)13/h1-4,6H,5H2.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone?
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone has a molecular weight of 300.54 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone is sourced from PubChem (CID 106854794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).