4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid

C12H17NO6 — CID 175032123

IUPAC4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid
SMILESCCc1cc[nH]c(=O)c1C.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C8H11NO.C4H6O5/c1-3-7-4-5-9-8(10)6(7)2;5-2(4(8)9)1-3(6)7/h4-5H,3H2,1-2H3,(H,9,10);2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyPRWFFAPEHQKFSW-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.15
Rot. Bonds4

About 4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid

4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid (PubChem CID 175032123) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid.

Molecular Properties

Compound Name4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid
PubChem CID175032123
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid
SMILESCCc1cc[nH]c(=O)c1C.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C8H11NO.C4H6O5/c1-3-7-4-5-9-8(10)6(7)2;5-2(4(8)9)1-3(6)7/h4-5H,3H2,1-2H3,(H,9,10);2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyPRWFFAPEHQKFSW-UHFFFAOYSA-N
XLogP0.15
TPSA127.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid?
The IUPAC name of 4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid (CID 175032123) is 4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid.
What is the SMILES notation for 4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid?
The canonical SMILES for 4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid is CCc1cc[nH]c(=O)c1C.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid?
The InChIKey is PRWFFAPEHQKFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C4H6O5/c1-3-7-4-5-9-8(10)6(7)2;5-2(4(8)9)1-3(6)7/h4-5H,3H2,1-2H3,(H,9,10);2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid?
4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid has a molecular weight of 271.27 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid is sourced from PubChem (CID 175032123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).