(2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate

C14H18FNO2 — CID 113240762

IUPAC(2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate
SMILESCCC1CCCCC1OC(=O)c1ccncc1F
InChIInChI=1S/C14H18FNO2/c1-2-10-5-3-4-6-13(10)18-14(17)11-7-8-16-9-12(11)15/h7-10,13H,2-6H2,1H3
InChIKeyIQKKLVAESMCZHJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.35
Rot. Bonds3

About (2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate

(2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate (PubChem CID 113240762) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate
PubChem CID113240762
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate
SMILESCCC1CCCCC1OC(=O)c1ccncc1F
InChIInChI=1S/C14H18FNO2/c1-2-10-5-3-4-6-13(10)18-14(17)11-7-8-16-9-12(11)15/h7-10,13H,2-6H2,1H3
InChIKeyIQKKLVAESMCZHJ-UHFFFAOYSA-N
XLogP3.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate (CID 113240762) is (2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate is CCC1CCCCC1OC(=O)c1ccncc1F.
What is the InChIKey of (2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate?
The InChIKey is IQKKLVAESMCZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-10-5-3-4-6-13(10)18-14(17)11-7-8-16-9-12(11)15/h7-10,13H,2-6H2,1H3.
What are the key properties of (2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate?
(2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate is sourced from PubChem (CID 113240762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).