4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine

C9H4ClF3N4 — CID 22732367

IUPAC4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)nc(-c2cnccn2)n1
InChIInChI=1S/C9H4ClF3N4/c10-7-3-6(9(11,12)13)16-8(17-7)5-4-14-1-2-15-5/h1-4H
InChIKeyFXKIFMAMPPOOLJ-UHFFFAOYSA-N
MW260.61 g/mol
LogP2.61
Rot. Bonds1

About 4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine

4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 22732367) has the molecular formula C9H4ClF3N4 and a molecular weight of 260.61 g/mol. Its IUPAC name is 4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID22732367
Molecular FormulaC9H4ClF3N4
Molecular Weight260.61 g/mol
Exact Mass260.01
IUPAC Name4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)nc(-c2cnccn2)n1
InChIInChI=1S/C9H4ClF3N4/c10-7-3-6(9(11,12)13)16-8(17-7)5-4-14-1-2-15-5/h1-4H
InChIKeyFXKIFMAMPPOOLJ-UHFFFAOYSA-N
XLogP2.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.61
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine (CID 22732367) is 4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Cl)nc(-c2cnccn2)n1.
What is the InChIKey of 4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is FXKIFMAMPPOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N4/c10-7-3-6(9(11,12)13)16-8(17-7)5-4-14-1-2-15-5/h1-4H.
What are the key properties of 4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine?
4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 260.61 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 22732367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).