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

C14H9ClF2N2O — CID 158041983

IUPAC4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
SMILESCC1=Cc2c(F)c(Oc3cc(Cl)ncn3)cc(F)c2C1
InChIInChI=1S/C14H9ClF2N2O/c1-7-2-8-9(3-7)14(17)11(4-10(8)16)20-13-5-12(15)18-6-19-13/h3-6H,2H2,1H3
InChIKeyFILQCKHLHYFCMB-UHFFFAOYSA-N
MW294.69 g/mol
LogP4.16
Rot. Bonds2

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

4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine (PubChem CID 158041983) has the molecular formula C14H9ClF2N2O and a molecular weight of 294.69 g/mol. Its IUPAC name is 4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
PubChem CID158041983
Molecular FormulaC14H9ClF2N2O
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
SMILESCC1=Cc2c(F)c(Oc3cc(Cl)ncn3)cc(F)c2C1
InChIInChI=1S/C14H9ClF2N2O/c1-7-2-8-9(3-7)14(17)11(4-10(8)16)20-13-5-12(15)18-6-19-13/h3-6H,2H2,1H3
InChIKeyFILQCKHLHYFCMB-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
The IUPAC name of 4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine (CID 158041983) is 4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine.
What is the SMILES notation for 4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
The canonical SMILES for 4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine is CC1=Cc2c(F)c(Oc3cc(Cl)ncn3)cc(F)c2C1.
What is the InChIKey of 4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
The InChIKey is FILQCKHLHYFCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O/c1-7-2-8-9(3-7)14(17)11(4-10(8)16)20-13-5-12(15)18-6-19-13/h3-6H,2H2,1H3.
What are the key properties of 4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine has a molecular weight of 294.69 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine is sourced from PubChem (CID 158041983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).