2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine

C16H12Br2N4 — CID 138455289

IUPAC2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine
SMILESNc1cc(-c2ccc(Br)cn2)c(N)cc1-c1ccc(Br)cn1
InChIInChI=1S/C16H12Br2N4/c17-9-1-3-15(21-7-9)11-5-14(20)12(6-13(11)19)16-4-2-10(18)8-22-16/h1-8H,19-20H2
InChIKeyZRMJPXZYIUBKHY-UHFFFAOYSA-N
MW420.11 g/mol
LogP4.50
Rot. Bonds2

About 2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine

2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine (PubChem CID 138455289) has the molecular formula C16H12Br2N4 and a molecular weight of 420.11 g/mol. Its IUPAC name is 2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine
PubChem CID138455289
Molecular FormulaC16H12Br2N4
Molecular Weight420.11 g/mol
Exact Mass417.94
IUPAC Name2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine
SMILESNc1cc(-c2ccc(Br)cn2)c(N)cc1-c1ccc(Br)cn1
InChIInChI=1S/C16H12Br2N4/c17-9-1-3-15(21-7-9)11-5-14(20)12(6-13(11)19)16-4-2-10(18)8-22-16/h1-8H,19-20H2
InChIKeyZRMJPXZYIUBKHY-UHFFFAOYSA-N
XLogP4.50
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.11
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-pyridinyl)aniline
CID 130114483
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide
CID 102555190
2-(5-bromo-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 66201515
5-bromo-2-(5-bromo-2-pyridinyl)pyridine;dichloropalladium
CID 175701869
3-(5-bromo-2-pyridinyl)-2,6-difluoropyridine
CID 139429765
5-bromopyridin-2-amine;hydrochloride
CID 22615197
5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine
CID 88894608
1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethanamine
CID 172724362
2-(2-amino-4-bromophenyl)-5-bromoaniline
CID 11221538
5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one
CID 177252570
5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811738

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine?
The IUPAC name of 2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine (CID 138455289) is 2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine.
What is the SMILES notation for 2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine?
The canonical SMILES for 2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine is Nc1cc(-c2ccc(Br)cn2)c(N)cc1-c1ccc(Br)cn1.
What is the InChIKey of 2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine?
The InChIKey is ZRMJPXZYIUBKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N4/c17-9-1-3-15(21-7-9)11-5-14(20)12(6-13(11)19)16-4-2-10(18)8-22-16/h1-8H,19-20H2.
What are the key properties of 2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine?
2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine has a molecular weight of 420.11 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine is sourced from PubChem (CID 138455289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).