2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde

C11H11BrN2O2 — CID 168505901

IUPAC2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1N1CC(CBr)CC1=O
InChIInChI=1S/C11H11BrN2O2/c12-5-8-4-10(16)14(6-8)11-9(7-15)2-1-3-13-11/h1-3,7-8H,4-6H2
InChIKeyWKYZENYYHYIHFW-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.64
Rot. Bonds3

About 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde

2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde (PubChem CID 168505901) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde
PubChem CID168505901
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1N1CC(CBr)CC1=O
InChIInChI=1S/C11H11BrN2O2/c12-5-8-4-10(16)14(6-8)11-9(7-15)2-1-3-13-11/h1-3,7-8H,4-6H2
InChIKeyWKYZENYYHYIHFW-UHFFFAOYSA-N
XLogP1.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168505869
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-chloropyridine-3-carbaldehyde
CID 168506365
4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
CID 168506372
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671870
1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663841
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
tert-butyl 4-[3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 168503568
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
CID 168509192
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168505915
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde?
The IUPAC name of 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde (CID 168505901) is 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde is O=Cc1cccnc1N1CC(CBr)CC1=O.
What is the InChIKey of 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde?
The InChIKey is WKYZENYYHYIHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-5-8-4-10(16)14(6-8)11-9(7-15)2-1-3-13-11/h1-3,7-8H,4-6H2.
What are the key properties of 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde?
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde has a molecular weight of 283.12 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 168505901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).