2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine

C12H6Cl2FN5 — CID 115504467

IUPAC2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
SMILESFc1ccc(-c2nc(Cl)nc(-n3cccn3)n2)cc1Cl
InChIInChI=1S/C12H6Cl2FN5/c13-8-6-7(2-3-9(8)15)10-17-11(14)19-12(18-10)20-5-1-4-16-20/h1-6H
InChIKeyVYAFTAPAMLJNEQ-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine

2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine (PubChem CID 115504467) has the molecular formula C12H6Cl2FN5 and a molecular weight of 310.12 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
PubChem CID115504467
Molecular FormulaC12H6Cl2FN5
Molecular Weight310.12 g/mol
Exact Mass309.00
IUPAC Name2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
SMILESFc1ccc(-c2nc(Cl)nc(-n3cccn3)n2)cc1Cl
InChIInChI=1S/C12H6Cl2FN5/c13-8-6-7(2-3-9(8)15)10-17-11(14)19-12(18-10)20-5-1-4-16-20/h1-6H
InChIKeyVYAFTAPAMLJNEQ-UHFFFAOYSA-N
XLogP3.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
CID 115504732
2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 115504443
4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 79689985
2-(3-chloro-4-fluorophenyl)pyridine
CID 11644141
1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane
CID 62869697
4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637029
4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868809
2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 58752529
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083653
2-chloro-4-(3,4-dimethylphenoxy)-6-pyrazol-1-yl-1,3,5-triazine
CID 62870497
4-chloro-2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazoline
CID 63093485
3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine (CID 115504467) is 2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine is Fc1ccc(-c2nc(Cl)nc(-n3cccn3)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine?
The InChIKey is VYAFTAPAMLJNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN5/c13-8-6-7(2-3-9(8)15)10-17-11(14)19-12(18-10)20-5-1-4-16-20/h1-6H.
What are the key properties of 2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine?
2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine has a molecular weight of 310.12 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 115504467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).