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

C13H11Cl4N3 — CID 102754928

IUPAC3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl4N3/c1-2-18-12-10(16)6-11(17)13(20-12)19-7-3-4-8(14)9(15)5-7/h3-6H,2H2,1H3,(H2,18,19,20)
InChIKeySAPUOJIQKDBVNQ-UHFFFAOYSA-N
MW351.06 g/mol
LogP5.87
Rot. Bonds4

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

3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 102754928) has the molecular formula C13H11Cl4N3 and a molecular weight of 351.06 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID102754928
Molecular FormulaC13H11Cl4N3
Molecular Weight351.06 g/mol
Exact Mass348.97
IUPAC Name3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl4N3/c1-2-18-12-10(16)6-11(17)13(20-12)19-7-3-4-8(14)9(15)5-7/h3-6H,2H2,1H3,(H2,18,19,20)
InChIKeySAPUOJIQKDBVNQ-UHFFFAOYSA-N
XLogP5.87
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.06
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(3-bromo-4-fluorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759804
5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile
CID 102757849
3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102756873
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754524
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755202
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80767819
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759236
3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102756861

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine (CID 102754928) is 3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine is CCNc1nc(Nc2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is SAPUOJIQKDBVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl4N3/c1-2-18-12-10(16)6-11(17)13(20-12)19-7-3-4-8(14)9(15)5-7/h3-6H,2H2,1H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine?
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 351.06 g/mol, XLogP of 5.87, 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-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 102754928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).