5-(4-fluorophenyl)pyrimidine-2-carbonitrile

C11H6FN3 — CID 608076

IUPAC5-(4-fluorophenyl)pyrimidine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C11H6FN3/c12-10-3-1-8(2-4-10)9-6-14-11(5-13)15-7-9/h1-4,6-7H
InChIKeyHJIVWOZBZKPTPM-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.15
Rot. Bonds1

About 5-(4-fluorophenyl)pyrimidine-2-carbonitrile

5-(4-fluorophenyl)pyrimidine-2-carbonitrile (PubChem CID 608076) has the molecular formula C11H6FN3 and a molecular weight of 199.19 g/mol. Its IUPAC name is 5-(4-fluorophenyl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorophenyl)pyrimidine-2-carbonitrile
PubChem CID608076
Molecular FormulaC11H6FN3
Molecular Weight199.19 g/mol
Exact Mass199.05
IUPAC Name5-(4-fluorophenyl)pyrimidine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C11H6FN3/c12-10-3-1-8(2-4-10)9-6-14-11(5-13)15-7-9/h1-4,6-7H
InChIKeyHJIVWOZBZKPTPM-UHFFFAOYSA-N
XLogP2.15
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)pyrimidine-2-carbonitrile?
The IUPAC name of 5-(4-fluorophenyl)pyrimidine-2-carbonitrile (CID 608076) is 5-(4-fluorophenyl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-(4-fluorophenyl)pyrimidine-2-carbonitrile?
The canonical SMILES for 5-(4-fluorophenyl)pyrimidine-2-carbonitrile is N#Cc1ncc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 5-(4-fluorophenyl)pyrimidine-2-carbonitrile?
The InChIKey is HJIVWOZBZKPTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3/c12-10-3-1-8(2-4-10)9-6-14-11(5-13)15-7-9/h1-4,6-7H.
What are the key properties of 5-(4-fluorophenyl)pyrimidine-2-carbonitrile?
5-(4-fluorophenyl)pyrimidine-2-carbonitrile has a molecular weight of 199.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 608076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).