5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde

C10H11BrN2O — CID 87941628

IUPAC5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde
SMILESO=Cc1cc(Br)cnc1C1CCCN1
InChIInChI=1S/C10H11BrN2O/c11-8-4-7(6-14)10(13-5-8)9-2-1-3-12-9/h4-6,9,12H,1-3H2
InChIKeyAJSLVWRQCKWRDV-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.08
Rot. Bonds2

About 5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde

5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde (PubChem CID 87941628) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde
PubChem CID87941628
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde
SMILESO=Cc1cc(Br)cnc1C1CCCN1
InChIInChI=1S/C10H11BrN2O/c11-8-4-7(6-14)10(13-5-8)9-2-1-3-12-9/h4-6,9,12H,1-3H2
InChIKeyAJSLVWRQCKWRDV-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine
CID 130713607
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
6-bromo-2-[(2S)-pyrrolidin-2-yl]furo[3,2-b]pyridine
CID 54062323
5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
2-[(2S)-azetidin-2-yl]-5-bromopyridin-3-ol
CID 131190620
5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde
CID 115093494
3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 130641922
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
5-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 123459636
3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
CID 122198515
3,5-difluoro-2-[(2R)-piperidin-2-yl]pyridine
CID 130748594

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde (CID 87941628) is 5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde is O=Cc1cc(Br)cnc1C1CCCN1.
What is the InChIKey of 5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde?
The InChIKey is AJSLVWRQCKWRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-4-7(6-14)10(13-5-8)9-2-1-3-12-9/h4-6,9,12H,1-3H2.
What are the key properties of 5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde?
5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde has a molecular weight of 255.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 87941628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).