5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine

C13H13Cl2N3 — CID 104532261

IUPAC5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H13Cl2N3/c1-2-17-10-5-11(8-16-7-10)18-9-3-4-12(14)13(15)6-9/h3-8,17-18H,2H2,1H3
InChIKeyWPDOECDRJKEDLP-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.56
Rot. Bonds4

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

5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 104532261) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID104532261
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H13Cl2N3/c1-2-17-10-5-11(8-16-7-10)18-9-3-4-12(14)13(15)6-9/h3-8,17-18H,2H2,1H3
InChIKeyWPDOECDRJKEDLP-UHFFFAOYSA-N
XLogP4.56
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 113423614
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
CID 104532189
5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535660
5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535772
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
CID 104534517
4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine
CID 71038618
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532128

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine (CID 104532261) is 5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is WPDOECDRJKEDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-2-17-10-5-11(8-16-7-10)18-9-3-4-12(14)13(15)6-9/h3-8,17-18H,2H2,1H3.
What are the key properties of 5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 282.17 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 104532261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).