(2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate

C15H20ClNO2 — CID 113379566

IUPAC(2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate
SMILESCCC1CCCCC1OC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-3-11-6-4-5-7-13(11)19-15(18)12-8-10(2)17-14(16)9-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyYBNMBOLEQUNGPJ-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.17
Rot. Bonds3

About (2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate

(2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate (PubChem CID 113379566) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate
PubChem CID113379566
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate
SMILESCCC1CCCCC1OC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-3-11-6-4-5-7-13(11)19-15(18)12-8-10(2)17-14(16)9-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyYBNMBOLEQUNGPJ-UHFFFAOYSA-N
XLogP4.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate (CID 113379566) is (2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate is CCC1CCCCC1OC(=O)c1cc(C)nc(Cl)c1.
What is the InChIKey of (2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate?
The InChIKey is YBNMBOLEQUNGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-11-6-4-5-7-13(11)19-15(18)12-8-10(2)17-14(16)9-12/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate?
(2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate has a molecular weight of 281.78 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 113379566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).