cyclohexyl 2,6-dichloropyridine-4-carboxylate

C12H13Cl2NO2 — CID 22157828

IUPACcyclohexyl 2,6-dichloropyridine-4-carboxylate
SMILESO=C(OC1CCCCC1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H13Cl2NO2/c13-10-6-8(7-11(14)15-10)12(16)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKeyBJEQOMIUWMAKTN-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.88
Rot. Bonds2

About cyclohexyl 2,6-dichloropyridine-4-carboxylate

cyclohexyl 2,6-dichloropyridine-4-carboxylate (PubChem CID 22157828) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is cyclohexyl 2,6-dichloropyridine-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2,6-dichloropyridine-4-carboxylate
PubChem CID22157828
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Namecyclohexyl 2,6-dichloropyridine-4-carboxylate
SMILESO=C(OC1CCCCC1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H13Cl2NO2/c13-10-6-8(7-11(14)15-10)12(16)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKeyBJEQOMIUWMAKTN-UHFFFAOYSA-N
XLogP3.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate
CID 22679066
cyclohexylmethyl 2,6-dichloropyridine-4-carboxylate
CID 60716775
cyclohexyl 6-chloropyridine-3-carboxylate
CID 60716124
dicyclohexyl 5-chlorosulfonylbenzene-1,3-dicarboxylate
CID 170992105
dicyclohexyl 5-ethylbenzene-1,3-dicarboxylate
CID 23514853
dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 14121494
cyclopentyl pyrimidine-5-carboxylate
CID 59148591
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
cyclopentyl 4-chloro-3-sulfamoylbenzoate
CID 65379832
cyclohexyl 5-methylfuran-3-carboxylate
CID 23661320
(2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate
CID 113379566
cycloheptyl 3-chloro-4-nitrobenzoate
CID 82787488

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2,6-dichloropyridine-4-carboxylate?
The IUPAC name of cyclohexyl 2,6-dichloropyridine-4-carboxylate (CID 22157828) is cyclohexyl 2,6-dichloropyridine-4-carboxylate.
What is the SMILES notation for cyclohexyl 2,6-dichloropyridine-4-carboxylate?
The canonical SMILES for cyclohexyl 2,6-dichloropyridine-4-carboxylate is O=C(OC1CCCCC1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of cyclohexyl 2,6-dichloropyridine-4-carboxylate?
The InChIKey is BJEQOMIUWMAKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-10-6-8(7-11(14)15-10)12(16)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2.
What are the key properties of cyclohexyl 2,6-dichloropyridine-4-carboxylate?
cyclohexyl 2,6-dichloropyridine-4-carboxylate has a molecular weight of 274.15 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2,6-dichloropyridine-4-carboxylate is sourced from PubChem (CID 22157828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).