4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid

C14H21NO4 — CID 114207457

IUPAC4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid
SMILESCC(C)CCCC(C)n1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C14H21NO4/c1-9(2)5-4-6-10(3)15-12(14(18)19)7-11(16)8-13(15)17/h7-10,16H,4-6H2,1-3H3,(H,18,19)
InChIKeyNSTATWFBOKVMLU-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.64
Rot. Bonds6

About 4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid

4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid (PubChem CID 114207457) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid
PubChem CID114207457
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid
SMILESCC(C)CCCC(C)n1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C14H21NO4/c1-9(2)5-4-6-10(3)15-12(14(18)19)7-11(16)8-13(15)17/h7-10,16H,4-6H2,1-3H3,(H,18,19)
InChIKeyNSTATWFBOKVMLU-UHFFFAOYSA-N
XLogP2.64
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid (CID 114207457) is 4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid is CC(C)CCCC(C)n1c(C(=O)O)cc(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid?
The InChIKey is NSTATWFBOKVMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(2)5-4-6-10(3)15-12(14(18)19)7-11(16)8-13(15)17/h7-10,16H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid?
4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).