4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one

C10H11ClN2O2 — CID 168509192

IUPAC4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ncccc1O
InChIInChI=1S/C10H11ClN2O2/c11-5-7-4-9(15)13(6-7)10-8(14)2-1-3-12-10/h1-3,7,14H,4-6H2
InChIKeyWHMWEEDTWCTAJC-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.38
Rot. Bonds2

About 4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one

4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168509192) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
PubChem CID168509192
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ncccc1O
InChIInChI=1S/C10H11ClN2O2/c11-5-7-4-9(15)13(6-7)10-8(14)2-1-3-12-10/h1-3,7,14H,4-6H2
InChIKeyWHMWEEDTWCTAJC-UHFFFAOYSA-N
XLogP1.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one
CID 168509536
4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168505869
4-(chloromethyl)-1-pyrimidin-4-ylpyrrolidin-2-one
CID 168509710
[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674271
1-(5-amino-2-chloropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509113
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde
CID 168505901
4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
CID 168506372
4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one
CID 168509171
4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
CID 168508834
1-(6-chloro-5-fluoropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509199

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one (CID 168509192) is 4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ncccc1O.
What is the InChIKey of 4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is WHMWEEDTWCTAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-5-7-4-9(15)13(6-7)10-8(14)2-1-3-12-10/h1-3,7,14H,4-6H2.
What are the key properties of 4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 226.66 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168509192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).