5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid

C13H17NO3 — CID 105496283

IUPAC5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCCC2)c[nH]c1=O
InChIInChI=1S/C13H17NO3/c15-12-11(13(16)17)7-10(8-14-12)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15)(H,16,17)
InChIKeyUINKGJWHRWCTNR-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.51
Rot. Bonds2

About 5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid

5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 105496283) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID105496283
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCCC2)c[nH]c1=O
InChIInChI=1S/C13H17NO3/c15-12-11(13(16)17)7-10(8-14-12)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15)(H,16,17)
InChIKeyUINKGJWHRWCTNR-UHFFFAOYSA-N
XLogP2.51
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115033798
5-(oxan-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 115033796
3-chloro-5-cyclohexyl-2-hydroxybenzoic acid
CID 20521551
2-bromo-4-cyclohexyl-1H-pyrrole
CID 82391276
5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 83918791
5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid
CID 70608030
2-chloro-5-cyclobutylpyridine-3-carboxylic acid
CID 105465551
5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide
CID 110848953
(2-carboxyphenyl)-bis(4-cyclohexylphenyl)sulfanium
CID 140938572
2-carboxyoxy-5-cyclobutylbenzoic acid
CID 139650553
1,3-dicyclohexylbenzene;hydrogen peroxide
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5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82402063

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 105496283) is 5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1cc(C2CCCCCC2)c[nH]c1=O.
What is the InChIKey of 5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is UINKGJWHRWCTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12-11(13(16)17)7-10(8-14-12)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15)(H,16,17).
What are the key properties of 5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid?
5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 105496283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).