3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine

C13H14BrN3O — CID 79532623

IUPAC3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
SMILESCCOc1cccc(Nc2ncc(N)cc2Br)c1
InChIInChI=1S/C13H14BrN3O/c1-2-18-11-5-3-4-10(7-11)17-13-12(14)6-9(15)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyWEDKHMKAPJMKGF-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.57
Rot. Bonds4

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

3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine (PubChem CID 79532623) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
PubChem CID79532623
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
SMILESCCOc1cccc(Nc2ncc(N)cc2Br)c1
InChIInChI=1S/C13H14BrN3O/c1-2-18-11-5-3-4-10(7-11)17-13-12(14)6-9(15)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyWEDKHMKAPJMKGF-UHFFFAOYSA-N
XLogP3.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
CID 79530694
4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
CID 79917337
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
4-N-(3-ethoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80808104
1-[3-[(5-amino-3-bromo-2-pyridinyl)amino]phenyl]ethanone
CID 93208856
6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
CID 63961957
2-bromo-4-(3-ethoxyanilino)benzonitrile
CID 107276122
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
CID 140989971
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine (CID 79532623) is 3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine is CCOc1cccc(Nc2ncc(N)cc2Br)c1.
What is the InChIKey of 3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine?
The InChIKey is WEDKHMKAPJMKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-18-11-5-3-4-10(7-11)17-13-12(14)6-9(15)8-16-13/h3-8H,2,15H2,1H3,(H,16,17).
What are the key properties of 3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine?
3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine has a molecular weight of 308.18 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 79532623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).