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

C13H14BrN3 — CID 104532357

IUPAC5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(Br)cc2)c1
InChIInChI=1S/C13H14BrN3/c1-2-16-12-7-13(9-15-8-12)17-11-5-3-10(14)4-6-11/h3-9,16-17H,2H2,1H3
InChIKeyDQOPLUPWTIZWHZ-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.02
Rot. Bonds4

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

5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 104532357) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID104532357
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(Br)cc2)c1
InChIInChI=1S/C13H14BrN3/c1-2-16-12-7-13(9-15-8-12)17-11-5-3-10(14)4-6-11/h3-9,16-17H,2H2,1H3
InChIKeyDQOPLUPWTIZWHZ-UHFFFAOYSA-N
XLogP4.02
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249
3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
CID 104532189
5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423741
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
CID 104534517
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine
CID 113423544
5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535772
N-(4-bromophenyl)pyrimidin-5-amine
CID 115046650
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine (CID 104532357) is 5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(Nc2ccc(Br)cc2)c1.
What is the InChIKey of 5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is DQOPLUPWTIZWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-2-16-12-7-13(9-15-8-12)17-11-5-3-10(14)4-6-11/h3-9,16-17H,2H2,1H3.
What are the key properties of 5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 292.18 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 104532357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).