3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine

C18H14FN3O — CID 130426999

IUPAC3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine
SMILES[H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1cncc(F)c1N
InChIInChI=1S/C18H14FN3O/c19-16-11-22-10-15(18(16)21)17(20)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-11,20H,(H2,21,22)/b20-17+
InChIKeyRDJPENCCPKEWLU-LVZFUZTISA-N
MW307.33 g/mol
LogP4.01
Rot. Bonds4

About 3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine

3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine (PubChem CID 130426999) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine.

Molecular Properties

Compound Name3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine
PubChem CID130426999
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine
SMILES[H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1cncc(F)c1N
InChIInChI=1S/C18H14FN3O/c19-16-11-22-10-15(18(16)21)17(20)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-11,20H,(H2,21,22)/b20-17+
InChIKeyRDJPENCCPKEWLU-LVZFUZTISA-N
XLogP4.01
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine?
The IUPAC name of 3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine (CID 130426999) is 3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine.
What is the SMILES notation for 3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine?
The canonical SMILES for 3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine is [H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1cncc(F)c1N.
What is the InChIKey of 3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine?
The InChIKey is RDJPENCCPKEWLU-LVZFUZTISA-N. The full InChI is InChI=1S/C18H14FN3O/c19-16-11-22-10-15(18(16)21)17(20)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-11,20H,(H2,21,22)/b20-17+.
What are the key properties of 3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine?
3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine has a molecular weight of 307.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine is sourced from PubChem (CID 130426999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).