2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine

C14H15Br2N3O — CID 63402975

IUPAC2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2ccc(Br)cc2Br)ccc1N
InChIInChI=1S/C14H15Br2N3O/c1-2-7-20-14-11(17)4-6-13(19-14)18-12-5-3-9(15)8-10(12)16/h3-6,8H,2,7,17H2,1H3,(H,18,19)
InChIKeyGBZAMKAFXBNOHV-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.72
Rot. Bonds5

About 2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine

2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine (PubChem CID 63402975) has the molecular formula C14H15Br2N3O and a molecular weight of 401.10 g/mol. Its IUPAC name is 2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
PubChem CID63402975
Molecular FormulaC14H15Br2N3O
Molecular Weight401.10 g/mol
Exact Mass398.96
IUPAC Name2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2ccc(Br)cc2Br)ccc1N
InChIInChI=1S/C14H15Br2N3O/c1-2-7-20-14-11(17)4-6-13(19-14)18-12-5-3-9(15)8-10(12)16/h3-6,8H,2,7,17H2,1H3,(H,18,19)
InChIKeyGBZAMKAFXBNOHV-UHFFFAOYSA-N
XLogP4.72
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine
CID 43805886
2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 65467537
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522
4-[(5-amino-6-ethoxy-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787248
2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261741
6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807065
2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine
CID 106759477
2-N-(5-bromo-2-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43555561
2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81287060
6-propoxy-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351232
2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
CID 43261742

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine (CID 63402975) is 2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(Nc2ccc(Br)cc2Br)ccc1N.
What is the InChIKey of 2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is GBZAMKAFXBNOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O/c1-2-7-20-14-11(17)4-6-13(19-14)18-12-5-3-9(15)8-10(12)16/h3-6,8H,2,7,17H2,1H3,(H,18,19).
What are the key properties of 2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine?
2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 401.10 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 63402975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).