6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C7H5ClF3N3O — CID 87124785

IUPAC6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(Cl)ncn1
InChIInChI=1S/C7H5ClF3N3O/c8-5-1-4(13-3-14-5)6(15)12-2-7(9,10)11/h1,3H,2H2,(H,12,15)
InChIKeyRYAXGGVBWSTRCQ-UHFFFAOYSA-N
MW239.58 g/mol
LogP1.42
Rot. Bonds2

About 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 87124785) has the molecular formula C7H5ClF3N3O and a molecular weight of 239.58 g/mol. Its IUPAC name is 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID87124785
Molecular FormulaC7H5ClF3N3O
Molecular Weight239.58 g/mol
Exact Mass239.01
IUPAC Name6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(Cl)ncn1
InChIInChI=1S/C7H5ClF3N3O/c8-5-1-4(13-3-14-5)6(15)12-2-7(9,10)11/h1,3H,2H2,(H,12,15)
InChIKeyRYAXGGVBWSTRCQ-UHFFFAOYSA-N
XLogP1.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 87124785) is 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is O=C(NCC(F)(F)F)c1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is RYAXGGVBWSTRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O/c8-5-1-4(13-3-14-5)6(15)12-2-7(9,10)11/h1,3H,2H2,(H,12,15).
What are the key properties of 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 239.58 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 87124785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).