3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine

C13H11Br2Cl2N3 — CID 102756861

IUPAC3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(Nc2cc(Br)ccc2Br)c(Cl)cc1Cl
InChIInChI=1S/C13H11Br2Cl2N3/c1-2-18-12-9(16)6-10(17)13(20-12)19-11-5-7(14)3-4-8(11)15/h3-6H,2H2,1H3,(H2,18,19,20)
InChIKeyYMGBNRAQQSKWIM-UHFFFAOYSA-N
MW439.97 g/mol
LogP6.09
Rot. Bonds4

About 3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine

3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 102756861) has the molecular formula C13H11Br2Cl2N3 and a molecular weight of 439.97 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID102756861
Molecular FormulaC13H11Br2Cl2N3
Molecular Weight439.97 g/mol
Exact Mass436.87
IUPAC Name3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(Nc2cc(Br)ccc2Br)c(Cl)cc1Cl
InChIInChI=1S/C13H11Br2Cl2N3/c1-2-18-12-9(16)6-10(17)13(20-12)19-11-5-7(14)3-4-8(11)15/h3-6H,2H2,1H3,(H2,18,19,20)
InChIKeyYMGBNRAQQSKWIM-UHFFFAOYSA-N
XLogP6.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.97
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 102759368
6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759236
3-bromo-4-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107795168
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754524
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102758019
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
6-N-(3-bromo-4-fluorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759804
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
N-(2-bromo-5-methylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762492
6-(3-bromophenyl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102753784

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine (CID 102756861) is 3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine is CCNc1nc(Nc2cc(Br)ccc2Br)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is YMGBNRAQQSKWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2Cl2N3/c1-2-18-12-9(16)6-10(17)13(20-12)19-11-5-7(14)3-4-8(11)15/h3-6H,2H2,1H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine?
3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 439.97 g/mol, XLogP of 6.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 102756861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).