2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine

C11H7ClF2N2O — CID 79079653

IUPAC2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2nc(Cl)ncc2F)cc1F
InChIInChI=1S/C11H7ClF2N2O/c1-17-9-3-2-6(4-7(9)13)10-8(14)5-15-11(12)16-10/h2-5H,1H3
InChIKeyPAEFUWNKSUQMQS-UHFFFAOYSA-N
MW256.64 g/mol
LogP3.08
Rot. Bonds2

About 2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine

2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine (PubChem CID 79079653) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
PubChem CID79079653
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2nc(Cl)ncc2F)cc1F
InChIInChI=1S/C11H7ClF2N2O/c1-17-9-3-2-6(4-7(9)13)10-8(14)5-15-11(12)16-10/h2-5H,1H3
InChIKeyPAEFUWNKSUQMQS-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine (CID 79079653) is 2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine is COc1ccc(-c2nc(Cl)ncc2F)cc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine?
The InChIKey is PAEFUWNKSUQMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c1-17-9-3-2-6(4-7(9)13)10-8(14)5-15-11(12)16-10/h2-5H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine?
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine has a molecular weight of 256.64 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 79079653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).