4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine

C11H9ClFN3O2 — CID 122505508

IUPAC4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine
SMILESCOc1ccc(-c2nc(Cl)c(F)c(OC)n2)nc1
InChIInChI=1S/C11H9ClFN3O2/c1-17-6-3-4-7(14-5-6)10-15-9(12)8(13)11(16-10)18-2/h3-5H,1-2H3
InChIKeyKONORGWKFHVYLP-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.35
Rot. Bonds3

About 4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine

4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine (PubChem CID 122505508) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine
PubChem CID122505508
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC Name4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine
SMILESCOc1ccc(-c2nc(Cl)c(F)c(OC)n2)nc1
InChIInChI=1S/C11H9ClFN3O2/c1-17-6-3-4-7(14-5-6)10-15-9(12)8(13)11(16-10)18-2/h3-5H,1-2H3
InChIKeyKONORGWKFHVYLP-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine (CID 122505508) is 4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine is COc1ccc(-c2nc(Cl)c(F)c(OC)n2)nc1.
What is the InChIKey of 4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine?
The InChIKey is KONORGWKFHVYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-17-6-3-4-7(14-5-6)10-15-9(12)8(13)11(16-10)18-2/h3-5H,1-2H3.
What are the key properties of 4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine?
4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine 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 4-chloro-5-fluoro-6-methoxy-2-(5-methoxy-2-pyridinyl)pyrimidine is sourced from PubChem (CID 122505508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).