2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile

C12H6F3N3O — CID 11391442

IUPAC2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2OC(F)(F)F)nc1
InChIInChI=1S/C12H6F3N3O/c13-12(14,15)19-10-4-2-1-3-9(10)11-17-6-8(5-16)7-18-11/h1-4,6-7H
InChIKeyHCZQXPJVIFEJHD-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.91
Rot. Bonds2

About 2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile

2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile (PubChem CID 11391442) has the molecular formula C12H6F3N3O and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
PubChem CID11391442
Molecular FormulaC12H6F3N3O
Molecular Weight265.19 g/mol
Exact Mass265.05
IUPAC Name2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2OC(F)(F)F)nc1
InChIInChI=1S/C12H6F3N3O/c13-12(14,15)19-10-4-2-1-3-9(10)11-17-6-8(5-16)7-18-11/h1-4,6-7H
InChIKeyHCZQXPJVIFEJHD-UHFFFAOYSA-N
XLogP2.91
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 134629098
5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086769
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626617
3-fluoro-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626601
3-chloro-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134629802
4-[2-[4-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]benzonitrile
CID 57031804
3-methoxy-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 172989952
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134628099
4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 105370928
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133086807

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile (CID 11391442) is 2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccccc2OC(F)(F)F)nc1.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is HCZQXPJVIFEJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O/c13-12(14,15)19-10-4-2-1-3-9(10)11-17-6-8(5-16)7-18-11/h1-4,6-7H.
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile?
2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 265.19 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 11391442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).