(2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone

C11H12Br2N2O — CID 74787779

IUPAC(2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Br)cnc1Br)N1CCCCC1
InChIInChI=1S/C11H12Br2N2O/c12-8-6-9(10(13)14-7-8)11(16)15-4-2-1-3-5-15/h6-7H,1-5H2
InChIKeyAXNVPLOULTVQSL-UHFFFAOYSA-N
MW348.04 g/mol
LogP3.23
Rot. Bonds1

About (2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone

(2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone (PubChem CID 74787779) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is (2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone
PubChem CID74787779
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name(2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Br)cnc1Br)N1CCCCC1
InChIInChI=1S/C11H12Br2N2O/c12-8-6-9(10(13)14-7-8)11(16)15-4-2-1-3-5-15/h6-7H,1-5H2
InChIKeyAXNVPLOULTVQSL-UHFFFAOYSA-N
XLogP3.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2,5-dibromo-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 74787778
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62001197
(5-bromo-2-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62969257
[5-bromo-2-(methylamino)-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 62967667
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
CID 130772047
(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535
5-bromo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 113406289
azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone
CID 156563536
(3-amino-5-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 107871959

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone?
The IUPAC name of (2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone (CID 74787779) is (2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone is O=C(c1cc(Br)cnc1Br)N1CCCCC1.
What is the InChIKey of (2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone?
The InChIKey is AXNVPLOULTVQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c12-8-6-9(10(13)14-7-8)11(16)15-4-2-1-3-5-15/h6-7H,1-5H2.
What are the key properties of (2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone?
(2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone has a molecular weight of 348.04 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 74787779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).