6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one

C10H6Cl2N2O — CID 177217667

IUPAC6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2ccc(Cl)c(Cl)n2)[nH]1
InChIInChI=1S/C10H6Cl2N2O/c11-6-4-5-8(14-10(6)12)7-2-1-3-9(15)13-7/h1-5H,(H,13,15)
InChIKeyXFWISNODTPQFRE-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.74
Rot. Bonds1

About 6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one

6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one (PubChem CID 177217667) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one
PubChem CID177217667
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2ccc(Cl)c(Cl)n2)[nH]1
InChIInChI=1S/C10H6Cl2N2O/c11-6-4-5-8(14-10(6)12)7-2-1-3-9(15)13-7/h1-5H,(H,13,15)
InChIKeyXFWISNODTPQFRE-UHFFFAOYSA-N
XLogP2.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one?
The IUPAC name of 6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one (CID 177217667) is 6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one is O=c1cccc(-c2ccc(Cl)c(Cl)n2)[nH]1.
What is the InChIKey of 6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one?
The InChIKey is XFWISNODTPQFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-6-4-5-8(14-10(6)12)7-2-1-3-9(15)13-7/h1-5H,(H,13,15).
What are the key properties of 6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one?
6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one has a molecular weight of 241.08 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dichloro-2-pyridinyl)-1H-pyridin-2-one is sourced from PubChem (CID 177217667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).