1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid

C13H19NO4 — CID 114201551

IUPAC1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCCCCC(C)n1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C13H19NO4/c1-4-5-6-9(2)14-8-12(18-3)11(15)7-10(14)13(16)17/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeyWFCFCCKYRLUNEP-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.31
Rot. Bonds6

About 1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid

1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid (PubChem CID 114201551) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid
PubChem CID114201551
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCCCCC(C)n1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C13H19NO4/c1-4-5-6-9(2)14-8-12(18-3)11(15)7-10(14)13(16)17/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeyWFCFCCKYRLUNEP-UHFFFAOYSA-N
XLogP2.31
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid (CID 114201551) is 1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid is CCCCC(C)n1cc(OC)c(=O)cc1C(=O)O.
What is the InChIKey of 1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is WFCFCCKYRLUNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-5-6-9(2)14-8-12(18-3)11(15)7-10(14)13(16)17/h7-9H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid?
1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-5-methoxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).