5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde

C6H2ClF3N2O — CID 178073385

IUPAC5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde
SMILESO=Cc1ncc(Cl)nc1C(F)(F)F
InChIInChI=1S/C6H2ClF3N2O/c7-4-1-11-3(2-13)5(12-4)6(8,9)10/h1-2H
InChIKeyWAXNDPCGVOHDJE-UHFFFAOYSA-N
MW210.54 g/mol
LogP1.96
Rot. Bonds1

About 5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde

5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde (PubChem CID 178073385) has the molecular formula C6H2ClF3N2O and a molecular weight of 210.54 g/mol. Its IUPAC name is 5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde
PubChem CID178073385
Molecular FormulaC6H2ClF3N2O
Molecular Weight210.54 g/mol
Exact Mass209.98
IUPAC Name5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde
SMILESO=Cc1ncc(Cl)nc1C(F)(F)F
InChIInChI=1S/C6H2ClF3N2O/c7-4-1-11-3(2-13)5(12-4)6(8,9)10/h1-2H
InChIKeyWAXNDPCGVOHDJE-UHFFFAOYSA-N
XLogP1.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.54
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-(trifluoromethyl)pyrazin-2-amine
CID 134818825
3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde
CID 131282107
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134626315
5-chloro-3-iodopyridine-2-carbaldehyde
CID 131589570
2-chloro-5-fluoropyrimidine-4-carbaldehyde
CID 171934886
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride
CID 146174185
2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
CID 71721437
5-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 123604776
3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 130099393
3,4,6-trichloro-2-(trifluoromethyl)pyridine
CID 171506095

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde?
The IUPAC name of 5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde (CID 178073385) is 5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde?
The canonical SMILES for 5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde is O=Cc1ncc(Cl)nc1C(F)(F)F.
What is the InChIKey of 5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde?
The InChIKey is WAXNDPCGVOHDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N2O/c7-4-1-11-3(2-13)5(12-4)6(8,9)10/h1-2H.
What are the key properties of 5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde?
5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde has a molecular weight of 210.54 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 178073385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).