cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate

C18H18ClNO2 — CID 91256169

IUPACcyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate
SMILESO=C(OC1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H18ClNO2/c19-15-9-6-13(7-10-15)14-8-11-17(20-12-14)18(21)22-16-4-2-1-3-5-16/h6-12,16H,1-5H2
InChIKeyFTQGNUQDCNSYSI-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.89
Rot. Bonds3

About cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate

cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate (PubChem CID 91256169) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate
PubChem CID91256169
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Namecyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate
SMILESO=C(OC1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H18ClNO2/c19-15-9-6-13(7-10-15)14-8-11-17(20-12-14)18(21)22-16-4-2-1-3-5-16/h6-12,16H,1-5H2
InChIKeyFTQGNUQDCNSYSI-UHFFFAOYSA-N
XLogP4.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate?
The IUPAC name of cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate (CID 91256169) is cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate is O=C(OC1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate?
The InChIKey is FTQGNUQDCNSYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c19-15-9-6-13(7-10-15)14-8-11-17(20-12-14)18(21)22-16-4-2-1-3-5-16/h6-12,16H,1-5H2.
What are the key properties of cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate?
cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate has a molecular weight of 315.80 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 91256169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).