3-chloro-1,5-di(propan-2-yl)pyridin-2-one

C11H16ClNO — CID 137437940

IUPAC3-chloro-1,5-di(propan-2-yl)pyridin-2-one
SMILESCC(C)c1cc(Cl)c(=O)n(C(C)C)c1
InChIInChI=1S/C11H16ClNO/c1-7(2)9-5-10(12)11(14)13(6-9)8(3)4/h5-8H,1-4H3
InChIKeyLBIGCIHLENWMGO-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.21
Rot. Bonds2

About 3-chloro-1,5-di(propan-2-yl)pyridin-2-one

3-chloro-1,5-di(propan-2-yl)pyridin-2-one (PubChem CID 137437940) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-chloro-1,5-di(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1,5-di(propan-2-yl)pyridin-2-one
PubChem CID137437940
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-chloro-1,5-di(propan-2-yl)pyridin-2-one
SMILESCC(C)c1cc(Cl)c(=O)n(C(C)C)c1
InChIInChI=1S/C11H16ClNO/c1-7(2)9-5-10(12)11(14)13(6-9)8(3)4/h5-8H,1-4H3
InChIKeyLBIGCIHLENWMGO-UHFFFAOYSA-N
XLogP3.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,5-di(propan-2-yl)pyridin-2-one?
The IUPAC name of 3-chloro-1,5-di(propan-2-yl)pyridin-2-one (CID 137437940) is 3-chloro-1,5-di(propan-2-yl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1,5-di(propan-2-yl)pyridin-2-one?
The canonical SMILES for 3-chloro-1,5-di(propan-2-yl)pyridin-2-one is CC(C)c1cc(Cl)c(=O)n(C(C)C)c1.
What is the InChIKey of 3-chloro-1,5-di(propan-2-yl)pyridin-2-one?
The InChIKey is LBIGCIHLENWMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)9-5-10(12)11(14)13(6-9)8(3)4/h5-8H,1-4H3.
What are the key properties of 3-chloro-1,5-di(propan-2-yl)pyridin-2-one?
3-chloro-1,5-di(propan-2-yl)pyridin-2-one has a molecular weight of 213.71 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,5-di(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 137437940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).