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

C12H6Cl2FN5 — CID 115504732

IUPAC2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
SMILESFc1cc(Cl)cc(-c2nc(Cl)nc(-n3cccn3)n2)c1
InChIInChI=1S/C12H6Cl2FN5/c13-8-4-7(5-9(15)6-8)10-17-11(14)19-12(18-10)20-3-1-2-16-20/h1-6H
InChIKeyRDVDQNZDCPIPMH-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.17
Rot. Bonds2

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

2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine (PubChem CID 115504732) has the molecular formula C12H6Cl2FN5 and a molecular weight of 310.12 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
PubChem CID115504732
Molecular FormulaC12H6Cl2FN5
Molecular Weight310.12 g/mol
Exact Mass309.00
IUPAC Name2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
SMILESFc1cc(Cl)cc(-c2nc(Cl)nc(-n3cccn3)n2)c1
InChIInChI=1S/C12H6Cl2FN5/c13-8-4-7(5-9(15)6-8)10-17-11(14)19-12(18-10)20-3-1-2-16-20/h1-6H
InChIKeyRDVDQNZDCPIPMH-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-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
CID 115504467
4-(3-fluoro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 79689985
4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 115504728
N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637186
4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869686
N-(2-bromo-4-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868310
2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
CID 79690163
1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane
CID 62869697
4-chloro-2,6-di(pyrazol-1-yl)pyridine
CID 170900675
4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine
CID 114453923
2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
CID 116795301
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 62868993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine (CID 115504732) is 2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine is Fc1cc(Cl)cc(-c2nc(Cl)nc(-n3cccn3)n2)c1.
What is the InChIKey of 2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine?
The InChIKey is RDVDQNZDCPIPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN5/c13-8-4-7(5-9(15)6-8)10-17-11(14)19-12(18-10)20-3-1-2-16-20/h1-6H.
What are the key properties of 2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine?
2-chloro-4-(3-chloro-5-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-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 115504732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).