4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine

C11H10FN3O2 — CID 16741427

IUPAC4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine
SMILESCOc1cc(-c2cccnc2F)nc(OC)n1
InChIInChI=1S/C11H10FN3O2/c1-16-9-6-8(14-11(15-9)17-2)7-4-3-5-13-10(7)12/h3-6H,1-2H3
InChIKeyXEZXAHLZJGNKRH-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.69
Rot. Bonds3

About 4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine

4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine (PubChem CID 16741427) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine
PubChem CID16741427
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine
SMILESCOc1cc(-c2cccnc2F)nc(OC)n1
InChIInChI=1S/C11H10FN3O2/c1-16-9-6-8(14-11(15-9)17-2)7-4-3-5-13-10(7)12/h3-6H,1-2H3
InChIKeyXEZXAHLZJGNKRH-UHFFFAOYSA-N
XLogP1.69
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine (CID 16741427) is 4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine is COc1cc(-c2cccnc2F)nc(OC)n1.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine?
The InChIKey is XEZXAHLZJGNKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-16-9-6-8(14-11(15-9)17-2)7-4-3-5-13-10(7)12/h3-6H,1-2H3.
What are the key properties of 4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine?
4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine has a molecular weight of 235.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-pyridinyl)-2,6-dimethoxypyrimidine is sourced from PubChem (CID 16741427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).