3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one

C12H11ClN2O — CID 20515034

IUPAC3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(Cl)cc1-c1ccncc1
InChIInChI=1S/C12H11ClN2O/c1-2-11-9(7-10(13)12(16)15-11)8-3-5-14-6-4-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyKBSWHGPZTUHVNW-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.65
Rot. Bonds2

About 3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one

3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 20515034) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
PubChem CID20515034
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(Cl)cc1-c1ccncc1
InChIInChI=1S/C12H11ClN2O/c1-2-11-9(7-10(13)12(16)15-11)8-3-5-14-6-4-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyKBSWHGPZTUHVNW-UHFFFAOYSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one (CID 20515034) is 3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one is CCc1[nH]c(=O)c(Cl)cc1-c1ccncc1.
What is the InChIKey of 3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is KBSWHGPZTUHVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-2-11-9(7-10(13)12(16)15-11)8-3-5-14-6-4-8/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one?
3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 234.69 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 20515034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).