pyridin-3-yl cyclohexanecarboxylate

C12H15NO2 — CID 151250371

IUPACpyridin-3-yl cyclohexanecarboxylate
SMILESO=C(Oc1cccnc1)C1CCCCC1
InChIInChI=1S/C12H15NO2/c14-12(10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h4,7-10H,1-3,5-6H2
InChIKeyNSEVMMUXXCPBIO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.57
Rot. Bonds2

About pyridin-3-yl cyclohexanecarboxylate

pyridin-3-yl cyclohexanecarboxylate (PubChem CID 151250371) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is pyridin-3-yl cyclohexanecarboxylate.

Molecular Properties

Compound Namepyridin-3-yl cyclohexanecarboxylate
PubChem CID151250371
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namepyridin-3-yl cyclohexanecarboxylate
SMILESO=C(Oc1cccnc1)C1CCCCC1
InChIInChI=1S/C12H15NO2/c14-12(10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h4,7-10H,1-3,5-6H2
InChIKeyNSEVMMUXXCPBIO-UHFFFAOYSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hydron;phenyl cycloheptanecarboxylate
CID 174768034
pyridin-3-yl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate;hydrochloride
CID 70552227
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
(3-acetylphenyl) cyclohexanecarboxylate
CID 86975498
3-cycloheptyloxypyridine
CID 112558615
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate
CID 67421433
N,N-dipyridin-3-ylcyclobutanecarboxamide
CID 126532272
4-(cycloicosanecarbonyloxy)benzenesulfonic acid
CID 56638838
(3,5-diphenylphenyl) cyclopentanecarboxylate
CID 44572266
(4-quinoxalin-2-ylphenyl) cyclohexanecarboxylate
CID 787369
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl cyclohexanecarboxylate?
The IUPAC name of pyridin-3-yl cyclohexanecarboxylate (CID 151250371) is pyridin-3-yl cyclohexanecarboxylate.
What is the SMILES notation for pyridin-3-yl cyclohexanecarboxylate?
The canonical SMILES for pyridin-3-yl cyclohexanecarboxylate is O=C(Oc1cccnc1)C1CCCCC1.
What is the InChIKey of pyridin-3-yl cyclohexanecarboxylate?
The InChIKey is NSEVMMUXXCPBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h4,7-10H,1-3,5-6H2.
What are the key properties of pyridin-3-yl cyclohexanecarboxylate?
pyridin-3-yl cyclohexanecarboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl cyclohexanecarboxylate is sourced from PubChem (CID 151250371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).