2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile

C7H4F3N3 — CID 82655671

IUPAC2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(C(F)(F)F)n1
InChIInChI=1S/C7H4F3N3/c1-4-12-3-5(2-11)6(13-4)7(8,9)10/h3H,1H3
InChIKeyVQGJPVLTTPMFCC-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.68
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile

2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile (PubChem CID 82655671) has the molecular formula C7H4F3N3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile
PubChem CID82655671
Molecular FormulaC7H4F3N3
Molecular Weight187.12 g/mol
Exact Mass187.04
IUPAC Name2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(C(F)(F)F)n1
InChIInChI=1S/C7H4F3N3/c1-4-12-3-5(2-11)6(13-4)7(8,9)10/h3H,1H3
InChIKeyVQGJPVLTTPMFCC-UHFFFAOYSA-N
XLogP1.68
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile (CID 82655671) is 2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile is Cc1ncc(C#N)c(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile?
The InChIKey is VQGJPVLTTPMFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3/c1-4-12-3-5(2-11)6(13-4)7(8,9)10/h3H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile?
2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile has a molecular weight of 187.12 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 82655671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).