3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride

HCID 3059643

Basic information

CAS
76928-34-2
Standard SMILES
Cl.O=C(Oc1ccccc1C1CCCCC1)c1cccnc1
InChIKey
KDWWTXCFEYTIEL-UHFFFAOYSA-N
Molecular formula
C18H20ClNO2
Average molar mass
317.8 g/mol
Monoisotopic mass
317.11825656

Names & identifiers

Preferred name
3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride
IUPAC
(2-cyclohexylphenyl) pyridine-3-carboxylate;hydrochloride

Names & synonyms

o-Cyclohexylphenyl nicotinate hydrochloride3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochlorideNicotinic acid, o-cyclohexylphenyl ester, hydrochloride76928-34-2DTXSID40227714RefChem:282274DTXCID90150205SCHEMBL10634831KDWWTXCFEYTIEL-UHFFFAOYSA-N2-Cyclohexylphenyl pyridine-3-carboxylate--hydrogen chloride (1/1)

Database identifiers

CAS
76928-34-2
PubChem CID
3059643
DTXSID
DTXSID40227714

Properties

Computed structural properties

Topological polar surface area
39.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
22

Related reactions

3 records

Compound notes

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