6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone

C16H15Br2N3O4 — CID 160724807

IUPAC6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
SMILESO=C(O)c1ccc(Br)nc1.O=C(c1ccc(Br)nc1)N1CCOCC1
InChIInChI=1S/C10H11BrN2O2.C6H4BrNO2/c11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;7-5-2-1-4(3-8-5)6(9)10/h1-2,7H,3-6H2;1-3H,(H,9,10)
InChIKeyRTOISZIANRWHKQ-UHFFFAOYSA-N
MW473.12 g/mol
LogP2.86
Rot. Bonds2

About 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone

6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone (PubChem CID 160724807) has the molecular formula C16H15Br2N3O4 and a molecular weight of 473.12 g/mol. Its IUPAC name is 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
PubChem CID160724807
Molecular FormulaC16H15Br2N3O4
Molecular Weight473.12 g/mol
Exact Mass470.94
IUPAC Name6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
SMILESO=C(O)c1ccc(Br)nc1.O=C(c1ccc(Br)nc1)N1CCOCC1
InChIInChI=1S/C10H11BrN2O2.C6H4BrNO2/c11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;7-5-2-1-4(3-8-5)6(9)10/h1-2,7H,3-6H2;1-3H,(H,9,10)
InChIKeyRTOISZIANRWHKQ-UHFFFAOYSA-N
XLogP2.86
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone with MolForge

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Related Compounds

(6-bromo-3-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 66464052
(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 66462671
(6-bromo-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 66462579
4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
(6-fluoro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 63979575
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
(6-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 66464344
(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62968732
(6-bromo-3-pyridinyl)-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107300795

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone?
The IUPAC name of 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone (CID 160724807) is 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone.
What is the SMILES notation for 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone?
The canonical SMILES for 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone is O=C(O)c1ccc(Br)nc1.O=C(c1ccc(Br)nc1)N1CCOCC1.
What is the InChIKey of 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone?
The InChIKey is RTOISZIANRWHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2.C6H4BrNO2/c11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;7-5-2-1-4(3-8-5)6(9)10/h1-2,7H,3-6H2;1-3H,(H,9,10).
What are the key properties of 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone?
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone has a molecular weight of 473.12 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 160724807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).