1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one

C9H8BrClN2O2 — CID 168703181

IUPAC1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncc(Br)cc1Cl
InChIInChI=1S/C9H8BrClN2O2/c10-5-1-7(11)9(12-3-5)13-4-6(14)2-8(13)15/h1,3,6,14H,2,4H2
InChIKeyVRCXGRXFVMNNAZ-UHFFFAOYSA-N
MW291.53 g/mol
LogP1.60
Rot. Bonds1

About 1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one

1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703181) has the molecular formula C9H8BrClN2O2 and a molecular weight of 291.53 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703181
Molecular FormulaC9H8BrClN2O2
Molecular Weight291.53 g/mol
Exact Mass289.95
IUPAC Name1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncc(Br)cc1Cl
InChIInChI=1S/C9H8BrClN2O2/c10-5-1-7(11)9(12-3-5)13-4-6(14)2-8(13)15/h1,3,6,14H,2,4H2
InChIKeyVRCXGRXFVMNNAZ-UHFFFAOYSA-N
XLogP1.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-fluoro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703201
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
CID 168689496
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168691534
6-(4-hydroxy-2-oxopyrrolidin-1-yl)-5-methylpyridine-3-carbonitrile
CID 168702638
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one
CID 168703642
[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine
CID 103584239

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one (CID 168703181) is 1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1ncc(Br)cc1Cl.
What is the InChIKey of 1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is VRCXGRXFVMNNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O2/c10-5-1-7(11)9(12-3-5)13-4-6(14)2-8(13)15/h1,3,6,14H,2,4H2.
What are the key properties of 1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one?
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 291.53 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).