2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine

C19H17Br2N3 — CID 155511838

IUPAC2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine
SMILESBrc1ccc(CNc2ccc(NCc3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C19H17Br2N3/c20-16-5-1-14(2-6-16)11-22-18-9-10-19(24-13-18)23-12-15-3-7-17(21)8-4-15/h1-10,13,22H,11-12H2,(H,23,24)
InChIKeyYBDOYLFYUDZGCE-UHFFFAOYSA-N
MW447.17 g/mol
LogP5.83
Rot. Bonds6

About 2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine

2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine (PubChem CID 155511838) has the molecular formula C19H17Br2N3 and a molecular weight of 447.17 g/mol. Its IUPAC name is 2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine
PubChem CID155511838
Molecular FormulaC19H17Br2N3
Molecular Weight447.17 g/mol
Exact Mass444.98
IUPAC Name2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine
SMILESBrc1ccc(CNc2ccc(NCc3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C19H17Br2N3/c20-16-5-1-14(2-6-16)11-22-18-9-10-19(24-13-18)23-12-15-3-7-17(21)8-4-15/h1-10,13,22H,11-12H2,(H,23,24)
InChIKeyYBDOYLFYUDZGCE-UHFFFAOYSA-N
XLogP5.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.17
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine (CID 155511838) is 2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine is Brc1ccc(CNc2ccc(NCc3ccc(Br)cc3)nc2)cc1.
What is the InChIKey of 2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine?
The InChIKey is YBDOYLFYUDZGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2N3/c20-16-5-1-14(2-6-16)11-22-18-9-10-19(24-13-18)23-12-15-3-7-17(21)8-4-15/h1-10,13,22H,11-12H2,(H,23,24).
What are the key properties of 2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine?
2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine has a molecular weight of 447.17 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(4-bromophenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 155511838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).