ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate

C16H22FNO4 — CID 134465923

IUPACethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OC)(c2cc(OC)ncc2F)CC1
InChIInChI=1S/C16H22FNO4/c1-4-22-15(19)11-5-7-16(21-3,8-6-11)12-9-14(20-2)18-10-13(12)17/h9-11H,4-8H2,1-3H3
InChIKeyROPFGOZKFVZPGS-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.82
Rot. Bonds5

About ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate

ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate (PubChem CID 134465923) has the molecular formula C16H22FNO4 and a molecular weight of 311.35 g/mol. Its IUPAC name is ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate
PubChem CID134465923
Molecular FormulaC16H22FNO4
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Nameethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OC)(c2cc(OC)ncc2F)CC1
InChIInChI=1S/C16H22FNO4/c1-4-22-15(19)11-5-7-16(21-3,8-6-11)12-9-14(20-2)18-10-13(12)17/h9-11H,4-8H2,1-3H3
InChIKeyROPFGOZKFVZPGS-UHFFFAOYSA-N
XLogP2.82
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate (CID 134465923) is ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate is CCOC(=O)C1CCC(OC)(c2cc(OC)ncc2F)CC1.
What is the InChIKey of ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate?
The InChIKey is ROPFGOZKFVZPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4/c1-4-22-15(19)11-5-7-16(21-3,8-6-11)12-9-14(20-2)18-10-13(12)17/h9-11H,4-8H2,1-3H3.
What are the key properties of ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate?
ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate has a molecular weight of 311.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 134465923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).