3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine

C15H18BrN3O2 — CID 79530694

IUPAC3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
SMILESCCOc1ccc(Nc2ncc(N)cc2Br)cc1OCC
InChIInChI=1S/C15H18BrN3O2/c1-3-20-13-6-5-11(8-14(13)21-4-2)19-15-12(16)7-10(17)9-18-15/h5-9H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyMLRIHGNKZYVTEJ-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.97
Rot. Bonds6

About 3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine

3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine (PubChem CID 79530694) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
PubChem CID79530694
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
SMILESCCOc1ccc(Nc2ncc(N)cc2Br)cc1OCC
InChIInChI=1S/C15H18BrN3O2/c1-3-20-13-6-5-11(8-14(13)21-4-2)19-15-12(16)7-10(17)9-18-15/h5-9H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyMLRIHGNKZYVTEJ-UHFFFAOYSA-N
XLogP3.97
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
CID 79532623
5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine
CID 104532247
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 80769404
5-bromo-N-(3,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 64624289
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
CID 79639325
5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine
CID 115148422
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 79532378
3-bromo-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,5-diamine
CID 79532026
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
CID 103584223
4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide
CID 93208845

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine (CID 79530694) is 3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine is CCOc1ccc(Nc2ncc(N)cc2Br)cc1OCC.
What is the InChIKey of 3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine?
The InChIKey is MLRIHGNKZYVTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-3-20-13-6-5-11(8-14(13)21-4-2)19-15-12(16)7-10(17)9-18-15/h5-9H,3-4,17H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine?
3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine has a molecular weight of 352.23 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 79530694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).