1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one

C10H11Cl2N3O2 — CID 168663479

IUPAC1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESNc1c(N2CC(CO)CC2=O)cc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c11-7-2-6(9(13)10(12)14-7)15-3-5(4-16)1-8(15)17/h2,5,16H,1,3-4,13H2
InChIKeyJGVYLXWCZQVONY-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.32
Rot. Bonds2

About 1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663479) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663479
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESNc1c(N2CC(CO)CC2=O)cc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c11-7-2-6(9(13)10(12)14-7)15-3-5(4-16)1-8(15)17/h2,5,16H,1,3-4,13H2
InChIKeyJGVYLXWCZQVONY-UHFFFAOYSA-N
XLogP1.32
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664003
1-(2-chloro-5-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663464
1-(2,4-dichloro-5-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663323
1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663363
1-(2-amino-5-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663950
1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664302
methyl 3-chloro-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662293
1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663357
1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662051
3-chloro-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 168663652
1-(3,4-dichloro-2-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663351
1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662484

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663479) is 1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is Nc1c(N2CC(CO)CC2=O)cc(Cl)nc1Cl.
What is the InChIKey of 1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is JGVYLXWCZQVONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c11-7-2-6(9(13)10(12)14-7)15-3-5(4-16)1-8(15)17/h2,5,16H,1,3-4,13H2.
What are the key properties of 1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 276.12 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).