6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine

C13H11BrCl3N3 — CID 102759236

IUPAC6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(Cl)cc2Br)c(Cl)cc1Cl
InChIInChI=1S/C13H11BrCl3N3/c1-2-18-12-9(16)6-10(17)13(20-12)19-11-4-3-7(15)5-8(11)14/h3-6H,2H2,1H3,(H2,18,19,20)
InChIKeyOQKDEMFTAGMZEZ-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.98
Rot. Bonds4

About 6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine

6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine (PubChem CID 102759236) has the molecular formula C13H11BrCl3N3 and a molecular weight of 395.52 g/mol. Its IUPAC name is 6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
PubChem CID102759236
Molecular FormulaC13H11BrCl3N3
Molecular Weight395.52 g/mol
Exact Mass392.92
IUPAC Name6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(Cl)cc2Br)c(Cl)cc1Cl
InChIInChI=1S/C13H11BrCl3N3/c1-2-18-12-9(16)6-10(17)13(20-12)19-11-4-3-7(15)5-8(11)14/h3-6H,2H2,1H3,(H2,18,19,20)
InChIKeyOQKDEMFTAGMZEZ-UHFFFAOYSA-N
XLogP5.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107795168
3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102756861
6-N-(3-bromo-4-fluorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759804
5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 102759368
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
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
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329248
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
CID 103583411

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine (CID 102759236) is 6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine is CCNc1nc(Nc2ccc(Cl)cc2Br)c(Cl)cc1Cl.
What is the InChIKey of 6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine?
The InChIKey is OQKDEMFTAGMZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl3N3/c1-2-18-12-9(16)6-10(17)13(20-12)19-11-4-3-7(15)5-8(11)14/h3-6H,2H2,1H3,(H2,18,19,20).
What are the key properties of 6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine?
6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine has a molecular weight of 395.52 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 102759236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).