(2-chloro-3-pyridinyl) 4-ethoxybutanoate

C11H14ClNO3 — CID 71930736

IUPAC(2-chloro-3-pyridinyl) 4-ethoxybutanoate
SMILESCCOCCCC(=O)Oc1cccnc1Cl
InChIInChI=1S/C11H14ClNO3/c1-2-15-8-4-6-10(14)16-9-5-3-7-13-11(9)12/h3,5,7H,2,4,6,8H2,1H3
InChIKeyFEWPDWPGOZSFKQ-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.46
Rot. Bonds6

About (2-chloro-3-pyridinyl) 4-ethoxybutanoate

(2-chloro-3-pyridinyl) 4-ethoxybutanoate (PubChem CID 71930736) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl) 4-ethoxybutanoate.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl) 4-ethoxybutanoate
PubChem CID71930736
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(2-chloro-3-pyridinyl) 4-ethoxybutanoate
SMILESCCOCCCC(=O)Oc1cccnc1Cl
InChIInChI=1S/C11H14ClNO3/c1-2-15-8-4-6-10(14)16-9-5-3-7-13-11(9)12/h3,5,7H,2,4,6,8H2,1H3
InChIKeyFEWPDWPGOZSFKQ-UHFFFAOYSA-N
XLogP2.46
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide
CID 65101759
(2-chloro-3-pyridinyl) 2-hydroxypropanoate
CID 131201350
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
CID 18796228
[2-(dimethylamino)-3-pyridinyl] octanoate
CID 154635229
2-chloro-3-(4-methylpentoxy)pyridine
CID 83157028
(2-hydroxyphenyl) 4-chlorobutanoate
CID 69126445
propanoyl 4-ethoxybutanoate
CID 174267345
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205
2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide
CID 175634824
ethyl (3S)-3-amino-3-(2-chloro-3-pyridinyl)propanoate
CID 171218538
2-chloro-3-(2-fluoroethoxy)pyridine
CID 79035180

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl) 4-ethoxybutanoate?
The IUPAC name of (2-chloro-3-pyridinyl) 4-ethoxybutanoate (CID 71930736) is (2-chloro-3-pyridinyl) 4-ethoxybutanoate.
What is the SMILES notation for (2-chloro-3-pyridinyl) 4-ethoxybutanoate?
The canonical SMILES for (2-chloro-3-pyridinyl) 4-ethoxybutanoate is CCOCCCC(=O)Oc1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl) 4-ethoxybutanoate?
The InChIKey is FEWPDWPGOZSFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-2-15-8-4-6-10(14)16-9-5-3-7-13-11(9)12/h3,5,7H,2,4,6,8H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl) 4-ethoxybutanoate?
(2-chloro-3-pyridinyl) 4-ethoxybutanoate has a molecular weight of 243.69 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl) 4-ethoxybutanoate is sourced from PubChem (CID 71930736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).