N,N'-bis(5-bromo-2-pyridinyl)methanediamine

C11H10Br2N4 — CID 121220517

IUPACN,N'-bis(5-bromo-2-pyridinyl)methanediamine
SMILESBrc1ccc(NCNc2ccc(Br)cn2)nc1
InChIInChI=1S/C11H10Br2N4/c12-8-1-3-10(14-5-8)16-7-17-11-4-2-9(13)6-15-11/h1-6H,7H2,(H,14,16)(H,15,17)
InChIKeyBMJNWUNDBVUUKG-UHFFFAOYSA-N
MW358.04 g/mol
LogP3.48
Rot. Bonds4

About N,N'-bis(5-bromo-2-pyridinyl)methanediamine

N,N'-bis(5-bromo-2-pyridinyl)methanediamine (PubChem CID 121220517) has the molecular formula C11H10Br2N4 and a molecular weight of 358.04 g/mol. Its IUPAC name is N,N'-bis(5-bromo-2-pyridinyl)methanediamine.

Molecular Properties

Compound NameN,N'-bis(5-bromo-2-pyridinyl)methanediamine
PubChem CID121220517
Molecular FormulaC11H10Br2N4
Molecular Weight358.04 g/mol
Exact Mass355.93
IUPAC NameN,N'-bis(5-bromo-2-pyridinyl)methanediamine
SMILESBrc1ccc(NCNc2ccc(Br)cn2)nc1
InChIInChI=1S/C11H10Br2N4/c12-8-1-3-10(14-5-8)16-7-17-11-4-2-9(13)6-15-11/h1-6H,7H2,(H,14,16)(H,15,17)
InChIKeyBMJNWUNDBVUUKG-UHFFFAOYSA-N
XLogP3.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.04
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2'-Dipyridylamine
CID 14547
1-(2-Pyridyl)piperazine
CID 94459
2-Amino-5-bromopyridine
CID 70622
Trovirdine
CID 3000870
2-Pyridinamine, N-methyl-
CID 20727
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
1-(5-Bromo-2-pyridyl)-3-[2-(1-piperidyl)ethyl]thiourea
CID 3001803
1-(5-Bromopyridin-2-yl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 3002105
Trovirdine hydrochloride
CID 5327620
N,N'-Di-2-pyridinylthiourea
CID 702572
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-bromo-2-pyridinyl)methanediamine?
The IUPAC name of N,N'-bis(5-bromo-2-pyridinyl)methanediamine (CID 121220517) is N,N'-bis(5-bromo-2-pyridinyl)methanediamine.
What is the SMILES notation for N,N'-bis(5-bromo-2-pyridinyl)methanediamine?
The canonical SMILES for N,N'-bis(5-bromo-2-pyridinyl)methanediamine is Brc1ccc(NCNc2ccc(Br)cn2)nc1.
What is the InChIKey of N,N'-bis(5-bromo-2-pyridinyl)methanediamine?
The InChIKey is BMJNWUNDBVUUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4/c12-8-1-3-10(14-5-8)16-7-17-11-4-2-9(13)6-15-11/h1-6H,7H2,(H,14,16)(H,15,17).
What are the key properties of N,N'-bis(5-bromo-2-pyridinyl)methanediamine?
N,N'-bis(5-bromo-2-pyridinyl)methanediamine has a molecular weight of 358.04 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-bromo-2-pyridinyl)methanediamine is sourced from PubChem (CID 121220517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).