ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate

C14H19FN2O2 — CID 116813100

IUPACethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(Nc2cccc(F)n2)C1
InChIInChI=1S/C14H19FN2O2/c1-2-19-14(18)10-5-3-6-11(9-10)16-13-8-4-7-12(15)17-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyBHRHEVDWFPTKSU-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.75
Rot. Bonds4

About ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate

ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate (PubChem CID 116813100) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate
PubChem CID116813100
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Nameethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(Nc2cccc(F)n2)C1
InChIInChI=1S/C14H19FN2O2/c1-2-19-14(18)10-5-3-6-11(9-10)16-13-8-4-7-12(15)17-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyBHRHEVDWFPTKSU-UHFFFAOYSA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate (CID 116813100) is ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCCC(Nc2cccc(F)n2)C1.
What is the InChIKey of ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate?
The InChIKey is BHRHEVDWFPTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-19-14(18)10-5-3-6-11(9-10)16-13-8-4-7-12(15)17-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,17).
What are the key properties of ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate?
ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 116813100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).