cyclohexylmethyl 4-chloropyridine-2-carboxylate

C13H16ClNO2 — CID 55032091

IUPACcyclohexylmethyl 4-chloropyridine-2-carboxylate
SMILESO=C(OCC1CCCCC1)c1cc(Cl)ccn1
InChIInChI=1S/C13H16ClNO2/c14-11-6-7-15-12(8-11)13(16)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyXXWLOKBDXNLLDF-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.47
Rot. Bonds3

About cyclohexylmethyl 4-chloropyridine-2-carboxylate

cyclohexylmethyl 4-chloropyridine-2-carboxylate (PubChem CID 55032091) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is cyclohexylmethyl 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4-chloropyridine-2-carboxylate
PubChem CID55032091
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Namecyclohexylmethyl 4-chloropyridine-2-carboxylate
SMILESO=C(OCC1CCCCC1)c1cc(Cl)ccn1
InChIInChI=1S/C13H16ClNO2/c14-11-6-7-15-12(8-11)13(16)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyXXWLOKBDXNLLDF-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-chloropyridine-2-carboxylate?
The IUPAC name of cyclohexylmethyl 4-chloropyridine-2-carboxylate (CID 55032091) is cyclohexylmethyl 4-chloropyridine-2-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4-chloropyridine-2-carboxylate?
The canonical SMILES for cyclohexylmethyl 4-chloropyridine-2-carboxylate is O=C(OCC1CCCCC1)c1cc(Cl)ccn1.
What is the InChIKey of cyclohexylmethyl 4-chloropyridine-2-carboxylate?
The InChIKey is XXWLOKBDXNLLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-6-7-15-12(8-11)13(16)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2.
What are the key properties of cyclohexylmethyl 4-chloropyridine-2-carboxylate?
cyclohexylmethyl 4-chloropyridine-2-carboxylate has a molecular weight of 253.73 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 55032091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).