4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid

C11H11BrN2O4 — CID 66462467

IUPAC4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H11BrN2O4/c12-9-2-1-7(5-13-9)10(15)14-3-4-18-6-8(14)11(16)17/h1-2,5,8H,3-4,6H2,(H,16,17)
InChIKeyASZDHYABBBNNSC-UHFFFAOYSA-N
MW315.12 g/mol
LogP0.77
Rot. Bonds2

About 4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid

4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid (PubChem CID 66462467) has the molecular formula C11H11BrN2O4 and a molecular weight of 315.12 g/mol. Its IUPAC name is 4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
PubChem CID66462467
Molecular FormulaC11H11BrN2O4
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H11BrN2O4/c12-9-2-1-7(5-13-9)10(15)14-3-4-18-6-8(14)11(16)17/h1-2,5,8H,3-4,6H2,(H,16,17)
InChIKeyASZDHYABBBNNSC-UHFFFAOYSA-N
XLogP0.77
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid
CID 125118869
4-(3-bromopyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 120521701
methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate
CID 115670220
(3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid
CID 125133440
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(6-bromo-3-pyridinyl)methanone
CID 66462936
(3R)-4-(3-bromo-5-fluorobenzoyl)morpholine-3-carboxylic acid
CID 124513317
4-(3-bromo-5-methylbenzoyl)morpholine-3-carboxylic acid
CID 113460502

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid (CID 66462467) is 4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1ccc(Br)nc1.
What is the InChIKey of 4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is ASZDHYABBBNNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4/c12-9-2-1-7(5-13-9)10(15)14-3-4-18-6-8(14)11(16)17/h1-2,5,8H,3-4,6H2,(H,16,17).
What are the key properties of 4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid?
4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 315.12 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 66462467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).