3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one

C15H12Cl2N2O2 — CID 23049017

IUPAC3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2cc(Cl)cc(Cl)c2=O)c2ccncc2O1
InChIInChI=1S/C15H12Cl2N2O2/c1-15(2)6-12(10-3-4-18-7-13(10)21-15)19-8-9(16)5-11(17)14(19)20/h3-8H,1-2H3
InChIKeyZUXZBHJHKUMIJG-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.61
Rot. Bonds1

About 3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one

3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one (PubChem CID 23049017) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one
PubChem CID23049017
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2cc(Cl)cc(Cl)c2=O)c2ccncc2O1
InChIInChI=1S/C15H12Cl2N2O2/c1-15(2)6-12(10-3-4-18-7-13(10)21-15)19-8-9(16)5-11(17)14(19)20/h3-8H,1-2H3
InChIKeyZUXZBHJHKUMIJG-UHFFFAOYSA-N
XLogP3.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-bromo-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one
CID 23049079
N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
CID 23049095
1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid
CID 23049163
5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one
CID 23049080
1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one
CID 23049056
3-chloro-1-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyridin-2-one
CID 23049150
1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid
CID 19787857
1-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyrazin-2-one
CID 154262697
3,5-dichloro-1-(5-methyl-2-pyridinyl)pyridin-2-one
CID 18779732
1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one
CID 23049028
N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
CID 23049029
4-chloro-3-(2,4,6-trichlorophenyl)pyridine
CID 134636075

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one?
The IUPAC name of 3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one (CID 23049017) is 3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one?
The canonical SMILES for 3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one is CC1(C)C=C(n2cc(Cl)cc(Cl)c2=O)c2ccncc2O1.
What is the InChIKey of 3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one?
The InChIKey is ZUXZBHJHKUMIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-15(2)6-12(10-3-4-18-7-13(10)21-15)19-8-9(16)5-11(17)14(19)20/h3-8H,1-2H3.
What are the key properties of 3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one?
3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one has a molecular weight of 323.18 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one is sourced from PubChem (CID 23049017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).