1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one

C10H11ClN2O2 — CID 168702660

IUPAC1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESCc1cc(Cl)ncc1N1CC(O)CC1=O
InChIInChI=1S/C10H11ClN2O2/c1-6-2-9(11)12-4-8(6)13-5-7(14)3-10(13)15/h2,4,7,14H,3,5H2,1H3
InChIKeyIZHXWVGJWWDYAE-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.14
Rot. Bonds1

About 1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one

1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702660) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
PubChem CID168702660
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESCc1cc(Cl)ncc1N1CC(O)CC1=O
InChIInChI=1S/C10H11ClN2O2/c1-6-2-9(11)12-4-8(6)13-5-7(14)3-10(13)15/h2,4,7,14H,3,5H2,1H3
InChIKeyIZHXWVGJWWDYAE-UHFFFAOYSA-N
XLogP1.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714532
1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one
CID 168702593
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833
1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702673
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
1-(6-bromo-4-methyl-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507917
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
5-(4-carboxy-2-oxopyrrolidin-1-yl)-2-chloropyridine-4-carboxylic acid
CID 168691533
6-(4-hydroxy-2-oxopyrrolidin-1-yl)-5-methylpyridine-3-carbonitrile
CID 168702638
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702437

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one (CID 168702660) is 1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one is Cc1cc(Cl)ncc1N1CC(O)CC1=O.
What is the InChIKey of 1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is IZHXWVGJWWDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6-2-9(11)12-4-8(6)13-5-7(14)3-10(13)15/h2,4,7,14H,3,5H2,1H3.
What are the key properties of 1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 226.66 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).