2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine

C11H9Cl3N4 — CID 171522306

IUPAC2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine
SMILESCC(Cc1nc(Cl)nc(Cl)n1)c1ccc(Cl)cn1
InChIInChI=1S/C11H9Cl3N4/c1-6(8-3-2-7(12)5-15-8)4-9-16-10(13)18-11(14)17-9/h2-3,5-6H,4H2,1H3
InChIKeyJXCZVOPALDFECS-UHFFFAOYSA-N
MW303.58 g/mol
LogP3.57
Rot. Bonds3

About 2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine

2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine (PubChem CID 171522306) has the molecular formula C11H9Cl3N4 and a molecular weight of 303.58 g/mol. Its IUPAC name is 2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine
PubChem CID171522306
Molecular FormulaC11H9Cl3N4
Molecular Weight303.58 g/mol
Exact Mass301.99
IUPAC Name2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine
SMILESCC(Cc1nc(Cl)nc(Cl)n1)c1ccc(Cl)cn1
InChIInChI=1S/C11H9Cl3N4/c1-6(8-3-2-7(12)5-15-8)4-9-16-10(13)18-11(14)17-9/h2-3,5-6H,4H2,1H3
InChIKeyJXCZVOPALDFECS-UHFFFAOYSA-N
XLogP3.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 174242875
5-chloro-2-octan-2-ylpyridine
CID 130320586
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
2-(1-bromoethyl)-5-chloropyridine
CID 58279845
(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
CID 75524979
2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine
CID 63560015
(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride
CID 139490132
(2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131165748
3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine
CID 63197527
N-[1-(5-chloro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 131086161
1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine
CID 83162025
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]methanesulfonamide
CID 100762146

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine (CID 171522306) is 2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine is CC(Cc1nc(Cl)nc(Cl)n1)c1ccc(Cl)cn1.
What is the InChIKey of 2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine?
The InChIKey is JXCZVOPALDFECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4/c1-6(8-3-2-7(12)5-15-8)4-9-16-10(13)18-11(14)17-9/h2-3,5-6H,4H2,1H3.
What are the key properties of 2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine?
2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine has a molecular weight of 303.58 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazine is sourced from PubChem (CID 171522306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).