4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine

C14H8Cl2F2N2O — CID 149465213

IUPAC4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
SMILESCC1=Cc2c(F)c(Oc3nc(Cl)cc(Cl)n3)cc(F)c2C1
InChIInChI=1S/C14H8Cl2F2N2O/c1-6-2-7-8(3-6)13(18)10(4-9(7)17)21-14-19-11(15)5-12(16)20-14/h3-5H,2H2,1H3
InChIKeyZAHCUIOBFUBQBS-UHFFFAOYSA-N
MW329.13 g/mol
LogP4.81
Rot. Bonds2

About 4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine

4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine (PubChem CID 149465213) has the molecular formula C14H8Cl2F2N2O and a molecular weight of 329.13 g/mol. Its IUPAC name is 4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
PubChem CID149465213
Molecular FormulaC14H8Cl2F2N2O
Molecular Weight329.13 g/mol
Exact Mass328.00
IUPAC Name4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
SMILESCC1=Cc2c(F)c(Oc3nc(Cl)cc(Cl)n3)cc(F)c2C1
InChIInChI=1S/C14H8Cl2F2N2O/c1-6-2-7-8(3-6)13(18)10(4-9(7)17)21-14-19-11(15)5-12(16)20-14/h3-5H,2H2,1H3
InChIKeyZAHCUIOBFUBQBS-UHFFFAOYSA-N
XLogP4.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine (CID 149465213) is 4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine is CC1=Cc2c(F)c(Oc3nc(Cl)cc(Cl)n3)cc(F)c2C1.
What is the InChIKey of 4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
The InChIKey is ZAHCUIOBFUBQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N2O/c1-6-2-7-8(3-6)13(18)10(4-9(7)17)21-14-19-11(15)5-12(16)20-14/h3-5H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine has a molecular weight of 329.13 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine is sourced from PubChem (CID 149465213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).