3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one

C9H6Cl2N2O — CID 20820538

IUPAC3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESO=C1C(Cl)=C(Cl)CN1c1ccccn1
InChIInChI=1S/C9H6Cl2N2O/c10-6-5-13(9(14)8(6)11)7-3-1-2-4-12-7/h1-4H,5H2
InChIKeyDUGKQEWKVPOJDE-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.12
Rot. Bonds1

About 3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one

3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 20820538) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID20820538
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESO=C1C(Cl)=C(Cl)CN1c1ccccn1
InChIInChI=1S/C9H6Cl2N2O/c10-6-5-13(9(14)8(6)11)7-3-1-2-4-12-7/h1-4H,5H2
InChIKeyDUGKQEWKVPOJDE-UHFFFAOYSA-N
XLogP2.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
(3S)-3-bromo-1-pyridin-2-ylpyrrolidin-2-one
CID 70147922
5-chloro-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 141348618
2-(4-chloro-1,2-dihydroimidazol-3-yl)pyridine
CID 71773258
4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline
CID 154461682
2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
CID 162411667
5-methyl-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 102338604
5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde
CID 87180422
4-pyridin-2-yl-1,2,4-dithiazolidine-3,5-dione
CID 163929369
(1R,2S,6R,7R)-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23308558
(1R,2S,6R,7S)-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6950417
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one (CID 20820538) is 3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one is O=C1C(Cl)=C(Cl)CN1c1ccccn1.
What is the InChIKey of 3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is DUGKQEWKVPOJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c10-6-5-13(9(14)8(6)11)7-3-1-2-4-12-7/h1-4H,5H2.
What are the key properties of 3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one?
3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 229.07 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 20820538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).