4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide

C6H3ClF3N3O — CID 142277281

IUPAC4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C6H3ClF3N3O/c7-3-2(6(8,9)10)1-12-5(13-3)4(11)14/h1H,(H2,11,14)
InChIKeyHFWNGVIYIPVFOX-UHFFFAOYSA-N
MW225.56 g/mol
LogP1.25
Rot. Bonds1

About 4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide

4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide (PubChem CID 142277281) has the molecular formula C6H3ClF3N3O and a molecular weight of 225.56 g/mol. Its IUPAC name is 4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide
PubChem CID142277281
Molecular FormulaC6H3ClF3N3O
Molecular Weight225.56 g/mol
Exact Mass224.99
IUPAC Name4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C6H3ClF3N3O/c7-3-2(6(8,9)10)1-12-5(13-3)4(11)14/h1H,(H2,11,14)
InChIKeyHFWNGVIYIPVFOX-UHFFFAOYSA-N
XLogP1.25
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.56
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide?
The IUPAC name of 4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide (CID 142277281) is 4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide is NC(=O)c1ncc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide?
The InChIKey is HFWNGVIYIPVFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3N3O/c7-3-2(6(8,9)10)1-12-5(13-3)4(11)14/h1H,(H2,11,14).
What are the key properties of 4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide?
4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide has a molecular weight of 225.56 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 142277281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).