1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid

C13H17NO5 — CID 114201623

IUPAC1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(C2CCC(O)CC2)c(C(=O)O)cc1=O
InChIInChI=1S/C13H17NO5/c1-19-12-7-14(8-2-4-9(15)5-3-8)10(13(17)18)6-11(12)16/h6-9,15H,2-5H2,1H3,(H,17,18)
InChIKeyGQPQAENRBQDNKT-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.03
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid

1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid (PubChem CID 114201623) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
PubChem CID114201623
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(C2CCC(O)CC2)c(C(=O)O)cc1=O
InChIInChI=1S/C13H17NO5/c1-19-12-7-14(8-2-4-9(15)5-3-8)10(13(17)18)6-11(12)16/h6-9,15H,2-5H2,1H3,(H,17,18)
InChIKeyGQPQAENRBQDNKT-UHFFFAOYSA-N
XLogP1.03
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid (CID 114201623) is 1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid is COc1cn(C2CCC(O)CC2)c(C(=O)O)cc1=O.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is GQPQAENRBQDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-19-12-7-14(8-2-4-9(15)5-3-8)10(13(17)18)6-11(12)16/h6-9,15H,2-5H2,1H3,(H,17,18).
What are the key properties of 1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).