4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid

C16H15NO3 — CID 18462017

IUPAC4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1cccc(C(=O)c2cccnc2)c1
InChIInChI=1S/C16H15NO3/c18-15(19)8-2-5-12-4-1-6-13(10-12)16(20)14-7-3-9-17-11-14/h1,3-4,6-7,9-11H,2,5,8H2,(H,18,19)
InChIKeyPPTLSFUZOVOPLI-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.72
Rot. Bonds6

About 4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid

4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid (PubChem CID 18462017) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid
PubChem CID18462017
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1cccc(C(=O)c2cccnc2)c1
InChIInChI=1S/C16H15NO3/c18-15(19)8-2-5-12-4-1-6-13(10-12)16(20)14-7-3-9-17-11-14/h1,3-4,6-7,9-11H,2,5,8H2,(H,18,19)
InChIKeyPPTLSFUZOVOPLI-UHFFFAOYSA-N
XLogP2.72
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)butan-1-ol;4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid
CID 70303331
5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
CID 139922006
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
4-[3-(hydroxymethyl)phenyl]butanoic acid
CID 123133673
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
butanedioic acid;pyridine-3-carboxamide
CID 159465776
3-(3-pyridin-3-ylpropoxy)propanoic acid
CID 21282788
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
5-(3-acetylphenyl)pentan-2-one
CID 11052734
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid?
The IUPAC name of 4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid (CID 18462017) is 4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid?
The canonical SMILES for 4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid is O=C(O)CCCc1cccc(C(=O)c2cccnc2)c1.
What is the InChIKey of 4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid?
The InChIKey is PPTLSFUZOVOPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(19)8-2-5-12-4-1-6-13(10-12)16(20)14-7-3-9-17-11-14/h1,3-4,6-7,9-11H,2,5,8H2,(H,18,19).
What are the key properties of 4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid?
4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid is sourced from PubChem (CID 18462017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).