4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile

C14H11ClFN3O — CID 107664674

IUPAC4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
SMILESCCCc1c(Cl)ncnc1Oc1ccc(C#N)cc1F
InChIInChI=1S/C14H11ClFN3O/c1-2-3-10-13(15)18-8-19-14(10)20-12-5-4-9(7-17)6-11(12)16/h4-6,8H,2-3H2,1H3
InChIKeyUOTHORIPCMWSFZ-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.89
Rot. Bonds4

About 4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile

4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile (PubChem CID 107664674) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is 4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
PubChem CID107664674
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
SMILESCCCc1c(Cl)ncnc1Oc1ccc(C#N)cc1F
InChIInChI=1S/C14H11ClFN3O/c1-2-3-10-13(15)18-8-19-14(10)20-12-5-4-9(7-17)6-11(12)16/h4-6,8H,2-3H2,1H3
InChIKeyUOTHORIPCMWSFZ-UHFFFAOYSA-N
XLogP3.89
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile?
The IUPAC name of 4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile (CID 107664674) is 4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile.
What is the SMILES notation for 4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile?
The canonical SMILES for 4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile is CCCc1c(Cl)ncnc1Oc1ccc(C#N)cc1F.
What is the InChIKey of 4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile?
The InChIKey is UOTHORIPCMWSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O/c1-2-3-10-13(15)18-8-19-14(10)20-12-5-4-9(7-17)6-11(12)16/h4-6,8H,2-3H2,1H3.
What are the key properties of 4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile?
4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile has a molecular weight of 291.71 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile is sourced from PubChem (CID 107664674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).