5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine

C11H9ClFN3O2 — CID 58994239

IUPAC5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2cc(F)cnc2Cl)c(OC)n1
InChIInChI=1S/C11H9ClFN3O2/c1-17-10-8(5-15-11(16-10)18-2)7-3-6(13)4-14-9(7)12/h3-5H,1-2H3
InChIKeyREOVDKKXTXRCKT-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.35
Rot. Bonds3

About 5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine

5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine (PubChem CID 58994239) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine
PubChem CID58994239
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC Name5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2cc(F)cnc2Cl)c(OC)n1
InChIInChI=1S/C11H9ClFN3O2/c1-17-10-8(5-15-11(16-10)18-2)7-3-6(13)4-14-9(7)12/h3-5H,1-2H3
InChIKeyREOVDKKXTXRCKT-UHFFFAOYSA-N
XLogP2.35
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.35
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 5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine?
The IUPAC name of 5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine (CID 58994239) is 5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine is COc1ncc(-c2cc(F)cnc2Cl)c(OC)n1.
What is the InChIKey of 5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine?
The InChIKey is REOVDKKXTXRCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-17-10-8(5-15-11(16-10)18-2)7-3-6(13)4-14-9(7)12/h3-5H,1-2H3.
What are the key properties of 5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine?
5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine has a molecular weight of 269.66 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoro-3-pyridinyl)-2,4-dimethoxypyrimidine is sourced from PubChem (CID 58994239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).