(5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate

C11H14ClNO3 — CID 14049645

IUPAC(5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate
SMILESCCCCCC(=O)Oc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C11H14ClNO3/c1-2-3-4-5-11(15)16-9-6-10(14)13-7-8(9)12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyYCCXJOCECYGNBH-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.51
Rot. Bonds5

About (5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate

(5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate (PubChem CID 14049645) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate.

Molecular Properties

Compound Name(5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate
PubChem CID14049645
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate
SMILESCCCCCC(=O)Oc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C11H14ClNO3/c1-2-3-4-5-11(15)16-9-6-10(14)13-7-8(9)12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyYCCXJOCECYGNBH-UHFFFAOYSA-N
XLogP2.51
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate?
The IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate (CID 14049645) is (5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate.
What is the SMILES notation for (5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate?
The canonical SMILES for (5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate is CCCCCC(=O)Oc1cc(=O)[nH]cc1Cl.
What is the InChIKey of (5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate?
The InChIKey is YCCXJOCECYGNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-2-3-4-5-11(15)16-9-6-10(14)13-7-8(9)12/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of (5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate?
(5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate has a molecular weight of 243.69 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-oxo-1H-pyridin-4-yl) hexanoate is sourced from PubChem (CID 14049645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).