1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride

C12H16ClNO3 — CID 70588854

IUPAC1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccn(C2CCCCC2)c1=O
InChIInChI=1S/C12H15NO3.ClH/c14-11-10(12(15)16)7-4-8-13(11)9-5-2-1-3-6-9;/h4,7-9H,1-3,5-6H2,(H,15,16);1H
InChIKeyFPJGEFNZRVKKKD-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.47
Rot. Bonds2

About 1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride

1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride (PubChem CID 70588854) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
PubChem CID70588854
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccn(C2CCCCC2)c1=O
InChIInChI=1S/C12H15NO3.ClH/c14-11-10(12(15)16)7-4-8-13(11)9-5-2-1-3-6-9;/h4,7-9H,1-3,5-6H2,(H,15,16);1H
InChIKeyFPJGEFNZRVKKKD-UHFFFAOYSA-N
XLogP2.47
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride (CID 70588854) is 1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccn(C2CCCCC2)c1=O.
What is the InChIKey of 1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride?
The InChIKey is FPJGEFNZRVKKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.ClH/c14-11-10(12(15)16)7-4-8-13(11)9-5-2-1-3-6-9;/h4,7-9H,1-3,5-6H2,(H,15,16);1H.
What are the key properties of 1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride?
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70588854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).