2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate

C15H16FN3O2 — CID 67952558

IUPAC2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate
SMILES[H]/N=C(\N)OCCc1ccc(Oc2cccc(C)n2)c(F)c1
InChIInChI=1S/C15H16FN3O2/c1-10-3-2-4-14(19-10)21-13-6-5-11(9-12(13)16)7-8-20-15(17)18/h2-6,9H,7-8H2,1H3,(H3,17,18)
InChIKeyRDGFVYMDPZLDKM-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.77
Rot. Bonds5

About 2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate

2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate (PubChem CID 67952558) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate.

Molecular Properties

Compound Name2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate
PubChem CID67952558
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate
SMILES[H]/N=C(\N)OCCc1ccc(Oc2cccc(C)n2)c(F)c1
InChIInChI=1S/C15H16FN3O2/c1-10-3-2-4-14(19-10)21-13-6-5-11(9-12(13)16)7-8-20-15(17)18/h2-6,9H,7-8H2,1H3,(H3,17,18)
InChIKeyRDGFVYMDPZLDKM-UHFFFAOYSA-N
XLogP2.77
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate?
The IUPAC name of 2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate (CID 67952558) is 2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate.
What is the SMILES notation for 2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate?
The canonical SMILES for 2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate is [H]/N=C(\N)OCCc1ccc(Oc2cccc(C)n2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate?
The InChIKey is RDGFVYMDPZLDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10-3-2-4-14(19-10)21-13-6-5-11(9-12(13)16)7-8-20-15(17)18/h2-6,9H,7-8H2,1H3,(H3,17,18).
What are the key properties of 2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate?
2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate has a molecular weight of 289.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate is sourced from PubChem (CID 67952558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).