5-chloro-2-(trifluoromethoxy)pyrimidine

C5H2ClF3N2O — CID 118989639

IUPAC5-chloro-2-(trifluoromethoxy)pyrimidine
SMILESFC(F)(F)Oc1ncc(Cl)cn1
InChIInChI=1S/C5H2ClF3N2O/c6-3-1-10-4(11-2-3)12-5(7,8)9/h1-2H
InChIKeyGXHZQQSLMYFXRS-UHFFFAOYSA-N
MW198.53 g/mol
LogP2.03
Rot. Bonds1

About 5-chloro-2-(trifluoromethoxy)pyrimidine

5-chloro-2-(trifluoromethoxy)pyrimidine (PubChem CID 118989639) has the molecular formula C5H2ClF3N2O and a molecular weight of 198.53 g/mol. Its IUPAC name is 5-chloro-2-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(trifluoromethoxy)pyrimidine
PubChem CID118989639
Molecular FormulaC5H2ClF3N2O
Molecular Weight198.53 g/mol
Exact Mass197.98
IUPAC Name5-chloro-2-(trifluoromethoxy)pyrimidine
SMILESFC(F)(F)Oc1ncc(Cl)cn1
InChIInChI=1S/C5H2ClF3N2O/c6-3-1-10-4(11-2-3)12-5(7,8)9/h1-2H
InChIKeyGXHZQQSLMYFXRS-UHFFFAOYSA-N
XLogP2.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.53
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethoxy)pyrimidine
CID 23221705
5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine
CID 168863078
2,5-bis(trifluoromethoxy)pyrazine
CID 119084225
3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine
CID 130093759
2,3-dibromo-4-chloro-5-(trifluoromethoxy)pyridine
CID 118811403
2-(trifluoromethoxy)-7H-purine
CID 86115012
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90634047
2-chloro-5-fluoro-3-(trifluoromethoxy)pyridine
CID 119020397
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086673
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(trifluoromethoxy)pyrimidine?
The IUPAC name of 5-chloro-2-(trifluoromethoxy)pyrimidine (CID 118989639) is 5-chloro-2-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 5-chloro-2-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 5-chloro-2-(trifluoromethoxy)pyrimidine is FC(F)(F)Oc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(trifluoromethoxy)pyrimidine?
The InChIKey is GXHZQQSLMYFXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2O/c6-3-1-10-4(11-2-3)12-5(7,8)9/h1-2H.
What are the key properties of 5-chloro-2-(trifluoromethoxy)pyrimidine?
5-chloro-2-(trifluoromethoxy)pyrimidine has a molecular weight of 198.53 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 118989639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).