(2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate

C14H18FNO2 — CID 115498887

IUPAC(2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate
SMILESCCC1CCCCC1OC(=O)c1cccc(F)n1
InChIInChI=1S/C14H18FNO2/c1-2-10-6-3-4-8-12(10)18-14(17)11-7-5-9-13(15)16-11/h5,7,9-10,12H,2-4,6,8H2,1H3
InChIKeyPVBSWVUOEHHMMP-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.35
Rot. Bonds3

About (2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate

(2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate (PubChem CID 115498887) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate
PubChem CID115498887
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate
SMILESCCC1CCCCC1OC(=O)c1cccc(F)n1
InChIInChI=1S/C14H18FNO2/c1-2-10-6-3-4-8-12(10)18-14(17)11-7-5-9-13(15)16-11/h5,7,9-10,12H,2-4,6,8H2,1H3
InChIKeyPVBSWVUOEHHMMP-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

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylcyclohexyl) 6-bromopyridine-2-carboxylate
CID 103889501
(2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate
CID 113240762
(2-ethylcyclohexyl) 2-amino-6-methoxybenzoate
CID 81414121
(2-ethylcyclohexyl) 2-acetylbenzoate
CID 123724053
(2-ethylcyclohexyl) 3-(trifluoromethyl)benzoate
CID 599330
(2-ethylcyclohexyl) 4-methylbenzoate
CID 577069
(2-ethylcyclohexyl) 2-amino-3-methylbenzoate
CID 63446967
(2-ethylcyclohexyl) 2-amino-3-bromobenzoate
CID 63539694
oxan-4-yl 6-fluoropyridine-2-carboxylate
CID 115498876
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
6-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbohydrazide
CID 106908788
(2-ethylcyclohexyl) 2-phenylsulfanylacetate
CID 533053

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate (CID 115498887) is (2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate is CCC1CCCCC1OC(=O)c1cccc(F)n1.
What is the InChIKey of (2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate?
The InChIKey is PVBSWVUOEHHMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-10-6-3-4-8-12(10)18-14(17)11-7-5-9-13(15)16-11/h5,7,9-10,12H,2-4,6,8H2,1H3.
What are the key properties of (2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate?
(2-ethylcyclohexyl) 6-fluoropyridine-2-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) 6-fluoropyridine-2-carboxylate is sourced from PubChem (CID 115498887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).