2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine

C18H16FN3O — CID 4673337

IUPAC2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine
SMILESFCCCOc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C18H16FN3O/c19-10-3-13-23-15-7-5-14(6-8-15)18-21-12-9-17(22-18)16-4-1-2-11-20-16/h1-2,4-9,11-12H,3,10,13H2
InChIKeyNOTGKSZWXLCMRT-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.94
Rot. Bonds6

About 2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine

2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine (PubChem CID 4673337) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine
PubChem CID4673337
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine
SMILESFCCCOc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C18H16FN3O/c19-10-3-13-23-15-7-5-14(6-8-15)18-21-12-9-17(22-18)16-4-1-2-11-20-16/h1-2,4-9,11-12H,3,10,13H2
InChIKeyNOTGKSZWXLCMRT-UHFFFAOYSA-N
XLogP3.94
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine?
The IUPAC name of 2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine (CID 4673337) is 2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine.
What is the SMILES notation for 2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine?
The canonical SMILES for 2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine is FCCCOc1ccc(-c2nccc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine?
The InChIKey is NOTGKSZWXLCMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-10-3-13-23-15-7-5-14(6-8-15)18-21-12-9-17(22-18)16-4-1-2-11-20-16/h1-2,4-9,11-12H,3,10,13H2.
What are the key properties of 2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine?
2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine has a molecular weight of 309.34 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropoxy)phenyl]-4-pyridin-2-ylpyrimidine is sourced from PubChem (CID 4673337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).