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

C7H6ClF3N2 — CID 89372271

IUPAC2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine
SMILESCCc1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c1-2-4-3-12-6(8)13-5(4)7(9,10)11/h3H,2H2,1H3
InChIKeyMNZSMHGVLDOYHJ-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.71
Rot. Bonds1

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

2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine (PubChem CID 89372271) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine
PubChem CID89372271
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine
SMILESCCc1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c1-2-4-3-12-6(8)13-5(4)7(9,10)11/h3H,2H2,1H3
InChIKeyMNZSMHGVLDOYHJ-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 2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine (CID 89372271) is 2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine is CCc1cnc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is MNZSMHGVLDOYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c1-2-4-3-12-6(8)13-5(4)7(9,10)11/h3H,2H2,1H3.
What are the key properties of 2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine?
2-chloro-5-ethyl-4-(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 2-chloro-5-ethyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 89372271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).