2-(4-propanoylphenoxy)pyridine-3-carboxylic acid

C15H13NO4 — CID 45422631

IUPAC2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
SMILESCCC(=O)c1ccc(Oc2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H13NO4/c1-2-13(17)10-5-7-11(8-6-10)20-14-12(15(18)19)4-3-9-16-14/h3-9H,2H2,1H3,(H,18,19)
InChIKeyWUWCFHZXOUUKOM-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.16
Rot. Bonds5

About 2-(4-propanoylphenoxy)pyridine-3-carboxylic acid

2-(4-propanoylphenoxy)pyridine-3-carboxylic acid (PubChem CID 45422631) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(4-propanoylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
PubChem CID45422631
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
SMILESCCC(=O)c1ccc(Oc2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H13NO4/c1-2-13(17)10-5-7-11(8-6-10)20-14-12(15(18)19)4-3-9-16-14/h3-9H,2H2,1H3,(H,18,19)
InChIKeyWUWCFHZXOUUKOM-UHFFFAOYSA-N
XLogP3.16
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-butanoylphenoxy)pyridine-3-carboxylic acid
CID 166523916
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid
CID 11681522
2-naphthalen-2-yloxypyridine-3-carboxylic acid
CID 16784651
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one
CID 133447202
2-(4-oxo-4-phenylbutoxy)pyridine-3-carboxylic acid
CID 143555857
2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
CID 24704749
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
2-pentan-2-yloxypyridine-3-carboxylic acid
CID 102980912
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-propanoylphenoxy)pyridine-3-carboxylic acid (CID 45422631) is 2-(4-propanoylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-propanoylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-propanoylphenoxy)pyridine-3-carboxylic acid is CCC(=O)c1ccc(Oc2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-propanoylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is WUWCFHZXOUUKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-2-13(17)10-5-7-11(8-6-10)20-14-12(15(18)19)4-3-9-16-14/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 2-(4-propanoylphenoxy)pyridine-3-carboxylic acid?
2-(4-propanoylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 45422631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).