4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile

C12H5ClF3N3 — CID 57468700

IUPAC4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H5ClF3N3/c13-8-3-1-7(2-4-8)9-5-10(12(14,15)16)19-11(6-17)18-9/h1-5H
InChIKeyQXHTUUANZZVZIE-UHFFFAOYSA-N
MW283.64 g/mol
LogP3.69
Rot. Bonds1

About 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile

4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile (PubChem CID 57468700) has the molecular formula C12H5ClF3N3 and a molecular weight of 283.64 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile
PubChem CID57468700
Molecular FormulaC12H5ClF3N3
Molecular Weight283.64 g/mol
Exact Mass283.01
IUPAC Name4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H5ClF3N3/c13-8-3-1-7(2-4-8)9-5-10(12(14,15)16)19-11(6-17)18-9/h1-5H
InChIKeyQXHTUUANZZVZIE-UHFFFAOYSA-N
XLogP3.69
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile (CID 57468700) is 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile is N#Cc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile?
The InChIKey is QXHTUUANZZVZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF3N3/c13-8-3-1-7(2-4-8)9-5-10(12(14,15)16)19-11(6-17)18-9/h1-5H.
What are the key properties of 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile?
4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile has a molecular weight of 283.64 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 57468700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).