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

C13H11Cl3IN3 — CID 107604767

IUPAC3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(I)cc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3IN3/c1-2-18-12-9(15)6-10(16)13(20-12)19-11-4-3-7(17)5-8(11)14/h3-6H,2H2,1H3,(H2,18,19,20)
InChIKeyGKMRTVVEFJNHLZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.82
Rot. Bonds4

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

3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 107604767) has the molecular formula C13H11Cl3IN3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID107604767
Molecular FormulaC13H11Cl3IN3
Molecular Weight442.52 g/mol
Exact Mass440.91
IUPAC Name3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(I)cc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3IN3/c1-2-18-12-9(15)6-10(16)13(20-12)19-11-4-3-7(17)5-8(11)14/h3-6H,2H2,1H3,(H2,18,19,20)
InChIKeyGKMRTVVEFJNHLZ-UHFFFAOYSA-N
XLogP5.82
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759236
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754524
4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107604736
5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107604713
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102756861
5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 102759368
3-bromo-4-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107795168
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
CID 102758994
3,5-dichloro-2-N-ethyl-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-diamine
CID 102754963

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine (CID 107604767) is 3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine is CCNc1nc(Nc2ccc(I)cc2Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is GKMRTVVEFJNHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3IN3/c1-2-18-12-9(15)6-10(16)13(20-12)19-11-4-3-7(17)5-8(11)14/h3-6H,2H2,1H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine?
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 442.52 g/mol, XLogP of 5.82, 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-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 107604767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).