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

C7H6ClF3N2 — CID 75132224

IUPAC4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine
SMILESCCc1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H6ClF3N2/c1-2-5-12-3-4(6(8)13-5)7(9,10)11/h3H,2H2,1H3
InChIKeyJNXAXYGWZPAVEA-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.71
Rot. Bonds1

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

4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine (PubChem CID 75132224) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine
PubChem CID75132224
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine
SMILESCCc1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H6ClF3N2/c1-2-5-12-3-4(6(8)13-5)7(9,10)11/h3H,2H2,1H3
InChIKeyJNXAXYGWZPAVEA-UHFFFAOYSA-N
XLogP2.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine (CID 75132224) is 4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine is CCc1ncc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is JNXAXYGWZPAVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c1-2-5-12-3-4(6(8)13-5)7(9,10)11/h3H,2H2,1H3.
What are the key properties of 4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine?
4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 210.59 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 75132224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).