4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde

C10H11BrN2O2 — CID 174720095

IUPAC4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde
SMILESO=CC1COCCN1c1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O2/c11-8-1-2-10(12-5-8)13-3-4-15-7-9(13)6-14/h1-2,5-6,9H,3-4,7H2
InChIKeyHTQUAVRSACJHHX-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.25
Rot. Bonds2

About 4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde

4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde (PubChem CID 174720095) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde
PubChem CID174720095
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde
SMILESO=CC1COCCN1c1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O2/c11-8-1-2-10(12-5-8)13-3-4-15-7-9(13)6-14/h1-2,5-6,9H,3-4,7H2
InChIKeyHTQUAVRSACJHHX-UHFFFAOYSA-N
XLogP1.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2-pyridinyl)-3-ethylmorpholine
CID 61375479
[(2R)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 97012579
[(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 97012580
1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol
CID 133476027
(3R,4S)-3-[(2R)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129483548
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341245
4-[5-(aminomethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83102569
(E)-3-[6-(3-ethylmorpholin-4-yl)-3-pyridinyl]prop-2-enoic acid
CID 80633925
1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
CID 62662720
N-methyl-1-[6-(3-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 62281160
4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde?
The IUPAC name of 4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde (CID 174720095) is 4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde is O=CC1COCCN1c1ccc(Br)cn1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde?
The InChIKey is HTQUAVRSACJHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-1-2-10(12-5-8)13-3-4-15-7-9(13)6-14/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde?
4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde has a molecular weight of 271.11 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde is sourced from PubChem (CID 174720095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).