3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one

C16H19ClN2O — CID 20514994

IUPAC3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one
SMILESCCCCCCc1[nH]c(=O)c(Cl)cc1-c1ccccn1
InChIInChI=1S/C16H19ClN2O/c1-2-3-4-5-9-15-12(11-13(17)16(20)19-15)14-8-6-7-10-18-14/h6-8,10-11H,2-5,9H2,1H3,(H,19,20)
InChIKeyFFQQTZUZKWQFFQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.21
Rot. Bonds6

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

3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one (PubChem CID 20514994) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one
PubChem CID20514994
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one
SMILESCCCCCCc1[nH]c(=O)c(Cl)cc1-c1ccccn1
InChIInChI=1S/C16H19ClN2O/c1-2-3-4-5-9-15-12(11-13(17)16(20)19-15)14-8-6-7-10-18-14/h6-8,10-11H,2-5,9H2,1H3,(H,19,20)
InChIKeyFFQQTZUZKWQFFQ-UHFFFAOYSA-N
XLogP4.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one (CID 20514994) is 3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one is CCCCCCc1[nH]c(=O)c(Cl)cc1-c1ccccn1.
What is the InChIKey of 3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one?
The InChIKey is FFQQTZUZKWQFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-2-3-4-5-9-15-12(11-13(17)16(20)19-15)14-8-6-7-10-18-14/h6-8,10-11H,2-5,9H2,1H3,(H,19,20).
What are the key properties of 3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one?
3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one has a molecular weight of 290.79 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 20514994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).