(2-cyclohexylphenyl) pyridine-3-carboxylate

C18H19NO2 — CID 3059644

IUPAC(2-cyclohexylphenyl) pyridine-3-carboxylate
SMILESO=C(Oc1ccccc1C1CCCCC1)c1cccnc1
InChIInChI=1S/C18H19NO2/c20-18(15-9-6-12-19-13-15)21-17-11-5-4-10-16(17)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2
InChIKeyQCGOZOLLKOPOTM-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.35
Rot. Bonds3

About (2-cyclohexylphenyl) pyridine-3-carboxylate

(2-cyclohexylphenyl) pyridine-3-carboxylate (PubChem CID 3059644) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2-cyclohexylphenyl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-cyclohexylphenyl) pyridine-3-carboxylate
PubChem CID3059644
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2-cyclohexylphenyl) pyridine-3-carboxylate
SMILESO=C(Oc1ccccc1C1CCCCC1)c1cccnc1
InChIInChI=1S/C18H19NO2/c20-18(15-9-6-12-19-13-15)21-17-11-5-4-10-16(17)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2
InChIKeyQCGOZOLLKOPOTM-UHFFFAOYSA-N
XLogP4.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid
CID 69454986
[2-[2-(3-hydroxyoxiran-2-yl)phenoxy]carbonylphenyl] pyridine-3-carboxylate
CID 123912051
(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride
CID 171109487
(2-benzoyloxy-6-cyclohexyl-3-cyclopentylphenyl) benzoate
CID 67433578
(2-cyclobutylphenyl) acetate
CID 176943294
[10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate
CID 170673981
[3-cyclohexyl-4-(3-methoxybenzoyl)oxyphenyl] 3-methoxybenzoate
CID 2831606
(5-benzoyloxy-4-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl) benzoate
CID 174180148
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
cyclohexyl [4-(pyridine-3-carbonyl)phenyl] carbonate
CID 166281988

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylphenyl) pyridine-3-carboxylate?
The IUPAC name of (2-cyclohexylphenyl) pyridine-3-carboxylate (CID 3059644) is (2-cyclohexylphenyl) pyridine-3-carboxylate.
What is the SMILES notation for (2-cyclohexylphenyl) pyridine-3-carboxylate?
The canonical SMILES for (2-cyclohexylphenyl) pyridine-3-carboxylate is O=C(Oc1ccccc1C1CCCCC1)c1cccnc1.
What is the InChIKey of (2-cyclohexylphenyl) pyridine-3-carboxylate?
The InChIKey is QCGOZOLLKOPOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(15-9-6-12-19-13-15)21-17-11-5-4-10-16(17)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2.
What are the key properties of (2-cyclohexylphenyl) pyridine-3-carboxylate?
(2-cyclohexylphenyl) pyridine-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylphenyl) pyridine-3-carboxylate is sourced from PubChem (CID 3059644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).