4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride

C10H14ClNO4 — CID 67908751

IUPAC4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride
SMILESCc1c(O)c(=O)ccn1CCCC(=O)O.Cl
InChIInChI=1S/C10H13NO4.ClH/c1-7-10(15)8(12)4-6-11(7)5-2-3-9(13)14;/h4,6,15H,2-3,5H2,1H3,(H,13,14);1H
InChIKeyPYRGQGNAGZYYPO-UHFFFAOYSA-N
MW247.68 g/mol
LogP1.15
Rot. Bonds4

About 4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride

4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride (PubChem CID 67908751) has the molecular formula C10H14ClNO4 and a molecular weight of 247.68 g/mol. Its IUPAC name is 4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride
PubChem CID67908751
Molecular FormulaC10H14ClNO4
Molecular Weight247.68 g/mol
Exact Mass247.06
IUPAC Name4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride
SMILESCc1c(O)c(=O)ccn1CCCC(=O)O.Cl
InChIInChI=1S/C10H13NO4.ClH/c1-7-10(15)8(12)4-6-11(7)5-2-3-9(13)14;/h4,6,15H,2-3,5H2,1H3,(H,13,14);1H
InChIKeyPYRGQGNAGZYYPO-UHFFFAOYSA-N
XLogP1.15
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride?
The IUPAC name of 4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride (CID 67908751) is 4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride?
The canonical SMILES for 4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride is Cc1c(O)c(=O)ccn1CCCC(=O)O.Cl.
What is the InChIKey of 4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride?
The InChIKey is PYRGQGNAGZYYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4.ClH/c1-7-10(15)8(12)4-6-11(7)5-2-3-9(13)14;/h4,6,15H,2-3,5H2,1H3,(H,13,14);1H.
What are the key properties of 4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride?
4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride has a molecular weight of 247.68 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid;hydrochloride is sourced from PubChem (CID 67908751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).