(3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C11H9Br2NO2 — CID 102647030

IUPAC(3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1ncc(Br)cc1Br
InChIInChI=1S/C11H9Br2NO2/c12-7-5-8(13)10(14-6-7)11(15)9-3-1-2-4-16-9/h3,5-6H,1-2,4H2
InChIKeyDPLASXYNYCEWKB-UHFFFAOYSA-N
MW347.01 g/mol
LogP3.48
Rot. Bonds2

About (3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102647030) has the molecular formula C11H9Br2NO2 and a molecular weight of 347.01 g/mol. Its IUPAC name is (3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102647030
Molecular FormulaC11H9Br2NO2
Molecular Weight347.01 g/mol
Exact Mass344.90
IUPAC Name(3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1ncc(Br)cc1Br
InChIInChI=1S/C11H9Br2NO2/c12-7-5-8(13)10(14-6-7)11(15)9-3-1-2-4-16-9/h3,5-6H,1-2,4H2
InChIKeyDPLASXYNYCEWKB-UHFFFAOYSA-N
XLogP3.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648565
3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone
CID 102647009
(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102647070
(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106856818
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106865225
(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648271
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102650842
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648499
3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 102646801
3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone
CID 102647067

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102647030) is (3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)c1ncc(Br)cc1Br.
What is the InChIKey of (3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is DPLASXYNYCEWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO2/c12-7-5-8(13)10(14-6-7)11(15)9-3-1-2-4-16-9/h3,5-6H,1-2,4H2.
What are the key properties of (3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 347.01 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102647030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).