potassium 4-pyridin-4-yloxybutanoate

C9H10KNO3 — CID 23703747

IUPACpotassium 4-pyridin-4-yloxybutanoate
SMILESO=C([O-])CCCOc1ccncc1.[K+]
InChIInChI=1S/C9H11NO3.K/c11-9(12)2-1-7-13-8-3-5-10-6-4-8;/h3-6H,1-2,7H2,(H,11,12);/q;+1/p-1
InChIKeyJDAPQXSVBFLQTP-UHFFFAOYSA-M
MW219.28 g/mol
LogP-3.01
Rot. Bonds5

About potassium 4-pyridin-4-yloxybutanoate

potassium 4-pyridin-4-yloxybutanoate (PubChem CID 23703747) has the molecular formula C9H10KNO3 and a molecular weight of 219.28 g/mol. Its IUPAC name is potassium 4-pyridin-4-yloxybutanoate.

Molecular Properties

Compound Namepotassium 4-pyridin-4-yloxybutanoate
PubChem CID23703747
Molecular FormulaC9H10KNO3
Molecular Weight219.28 g/mol
Exact Mass219.03
IUPAC Namepotassium 4-pyridin-4-yloxybutanoate
SMILESO=C([O-])CCCOc1ccncc1.[K+]
InChIInChI=1S/C9H11NO3.K/c11-9(12)2-1-7-13-8-3-5-10-6-4-8;/h3-6H,1-2,7H2,(H,11,12);/q;+1/p-1
InChIKeyJDAPQXSVBFLQTP-UHFFFAOYSA-M
XLogP-3.01
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-3.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium 4-(4-methylphenoxy)butanoate
CID 19205465
4-(4-ethoxyphenoxy)butanoate
CID 2392386
5-(4-chlorophenoxy)pentanoate
CID 7037411
tetrapotassium;4-[6-(3-carboxylatopropoxy)-9,10-dioxidoanthracen-2-yl]oxybutanoate
CID 169019328
5-pyridin-4-yloxypentan-1-ol
CID 46179486
7-pyridin-4-yloxyheptan-1-ol
CID 46179485
4-(4-nonylphenoxy)butanoate
CID 22965467
tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate
CID 136832974
4-pentoxypyridine
CID 23560340
4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
CID 39953910
4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039
3-(4-nitrophenoxy)propanoate
CID 6993075

Frequently Asked Questions

What is the IUPAC name of potassium 4-pyridin-4-yloxybutanoate?
The IUPAC name of potassium 4-pyridin-4-yloxybutanoate (CID 23703747) is potassium 4-pyridin-4-yloxybutanoate.
What is the SMILES notation for potassium 4-pyridin-4-yloxybutanoate?
The canonical SMILES for potassium 4-pyridin-4-yloxybutanoate is O=C([O-])CCCOc1ccncc1.[K+].
What is the InChIKey of potassium 4-pyridin-4-yloxybutanoate?
The InChIKey is JDAPQXSVBFLQTP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO3.K/c11-9(12)2-1-7-13-8-3-5-10-6-4-8;/h3-6H,1-2,7H2,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 4-pyridin-4-yloxybutanoate?
potassium 4-pyridin-4-yloxybutanoate has a molecular weight of 219.28 g/mol, XLogP of -3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-pyridin-4-yloxybutanoate is sourced from PubChem (CID 23703747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).