2-(3-fluorophenyl)pyrimidine-5-carbonitrile

C11H6FN3 — CID 45073377

IUPAC2-(3-fluorophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C11H6FN3/c12-10-3-1-2-9(4-10)11-14-6-8(5-13)7-15-11/h1-4,6-7H
InChIKeyZXSZUCRVSWGKCX-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.15
Rot. Bonds1

About 2-(3-fluorophenyl)pyrimidine-5-carbonitrile

2-(3-fluorophenyl)pyrimidine-5-carbonitrile (PubChem CID 45073377) has the molecular formula C11H6FN3 and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-(3-fluorophenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)pyrimidine-5-carbonitrile
PubChem CID45073377
Molecular FormulaC11H6FN3
Molecular Weight199.19 g/mol
Exact Mass199.05
IUPAC Name2-(3-fluorophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C11H6FN3/c12-10-3-1-2-9(4-10)11-14-6-8(5-13)7-15-11/h1-4,6-7H
InChIKeyZXSZUCRVSWGKCX-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 2-(3-fluorophenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(3-fluorophenyl)pyrimidine-5-carbonitrile (CID 45073377) is 2-(3-fluorophenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(3-fluorophenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(3-fluorophenyl)pyrimidine-5-carbonitrile is N#Cc1cnc(-c2cccc(F)c2)nc1.
What is the InChIKey of 2-(3-fluorophenyl)pyrimidine-5-carbonitrile?
The InChIKey is ZXSZUCRVSWGKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3/c12-10-3-1-2-9(4-10)11-14-6-8(5-13)7-15-11/h1-4,6-7H.
What are the key properties of 2-(3-fluorophenyl)pyrimidine-5-carbonitrile?
2-(3-fluorophenyl)pyrimidine-5-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 2-(3-fluorophenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 45073377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).