4-hydroxy-4-pyridin-3-ylbutanoic acid

C9H11NO3 — CID 438

IUPAC4-hydroxy-4-pyridin-3-ylbutanoic acid
SMILESO=C(O)CCC(O)c1cccnc1
InChIInChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)
InChIKeySTZOZPPVGWNSMC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.98
Rot. Bonds4

About 4-hydroxy-4-pyridin-3-ylbutanoic acid

4-hydroxy-4-pyridin-3-ylbutanoic acid (PubChem CID 438) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-hydroxy-4-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-pyridin-3-ylbutanoic acid
PubChem CID438
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-hydroxy-4-pyridin-3-ylbutanoic acid
SMILESO=C(O)CCC(O)c1cccnc1
InChIInChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)
InChIKeySTZOZPPVGWNSMC-UHFFFAOYSA-N
XLogP0.98
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol
CID 104856
Nicotinyl Alcohol Tartrate
CID 93578
3-Pyridinebutanoic acid
CID 114
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
Phenyl(pyridin-3-yl)methanol
CID 234839
3-(Pyridin-3-yl)propanoic acid
CID 259624
Nicotinyl tartrate
CID 287442
alpha-Methyl-3-pyridinemethanol
CID 101192
4-Pyridin-3-yl-benzoic acid
CID 1515244
Methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate
CID 10921383
CID 12904539
CID 12904539

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-pyridin-3-ylbutanoic acid?
The IUPAC name of 4-hydroxy-4-pyridin-3-ylbutanoic acid (CID 438) is 4-hydroxy-4-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 4-hydroxy-4-pyridin-3-ylbutanoic acid?
The canonical SMILES for 4-hydroxy-4-pyridin-3-ylbutanoic acid is O=C(O)CCC(O)c1cccnc1.
What is the InChIKey of 4-hydroxy-4-pyridin-3-ylbutanoic acid?
The InChIKey is STZOZPPVGWNSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13).
What are the key properties of 4-hydroxy-4-pyridin-3-ylbutanoic acid?
4-hydroxy-4-pyridin-3-ylbutanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).