2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine

C11H6ClF3N2O — CID 135283311

IUPAC2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine
SMILESCOc1c(-c2nc(Cl)ncc2F)ccc(F)c1F
InChIInChI=1S/C11H6ClF3N2O/c1-18-10-5(2-3-6(13)8(10)15)9-7(14)4-16-11(12)17-9/h2-4H,1H3
InChIKeyYTCRTENSNZFMNH-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.22
Rot. Bonds2

About 2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine

2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine (PubChem CID 135283311) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine
PubChem CID135283311
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine
SMILESCOc1c(-c2nc(Cl)ncc2F)ccc(F)c1F
InChIInChI=1S/C11H6ClF3N2O/c1-18-10-5(2-3-6(13)8(10)15)9-7(14)4-16-11(12)17-9/h2-4H,1H3
InChIKeyYTCRTENSNZFMNH-UHFFFAOYSA-N
XLogP3.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine (CID 135283311) is 2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine is COc1c(-c2nc(Cl)ncc2F)ccc(F)c1F.
What is the InChIKey of 2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine?
The InChIKey is YTCRTENSNZFMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c1-18-10-5(2-3-6(13)8(10)15)9-7(14)4-16-11(12)17-9/h2-4H,1H3.
What are the key properties of 2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine?
2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine has a molecular weight of 274.63 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine is sourced from PubChem (CID 135283311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).