2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid

C12H15NO3 — CID 82616689

IUPAC2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)[nH]c(=O)c1
InChIInChI=1S/C12H15NO3/c14-11-7-9(12(15)16)6-10(13-11)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)(H,15,16)
InChIKeyDKAPALULVPPMMJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.12
Rot. Bonds2

About 2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid

2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 82616689) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID82616689
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)[nH]c(=O)c1
InChIInChI=1S/C12H15NO3/c14-11-7-9(12(15)16)6-10(13-11)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)(H,15,16)
InChIKeyDKAPALULVPPMMJ-UHFFFAOYSA-N
XLogP2.12
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid (CID 82616689) is 2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(C2CCCCC2)[nH]c(=O)c1.
What is the InChIKey of 2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is DKAPALULVPPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11-7-9(12(15)16)6-10(13-11)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid?
2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 82616689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).