6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine

C12H10Br2N2 — CID 63961950

IUPAC6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
SMILESBrc1cccc(CNc2cccc(Br)n2)c1
InChIInChI=1S/C12H10Br2N2/c13-10-4-1-3-9(7-10)8-15-12-6-2-5-11(14)16-12/h1-7H,8H2,(H,15,16)
InChIKeyDWEBCBUVBXWSIA-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.22
Rot. Bonds3

About 6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine

6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine (PubChem CID 63961950) has the molecular formula C12H10Br2N2 and a molecular weight of 342.03 g/mol. Its IUPAC name is 6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
PubChem CID63961950
Molecular FormulaC12H10Br2N2
Molecular Weight342.03 g/mol
Exact Mass339.92
IUPAC Name6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
SMILESBrc1cccc(CNc2cccc(Br)n2)c1
InChIInChI=1S/C12H10Br2N2/c13-10-4-1-3-9(7-10)8-15-12-6-2-5-11(14)16-12/h1-7H,8H2,(H,15,16)
InChIKeyDWEBCBUVBXWSIA-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80899114
N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312159
N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80963952
N-[(3-bromophenyl)methyl]pyrimidin-4-amine
CID 61401223
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327634
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
CID 63962154
4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 106192569
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine (CID 63961950) is 6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine is Brc1cccc(CNc2cccc(Br)n2)c1.
What is the InChIKey of 6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine?
The InChIKey is DWEBCBUVBXWSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2/c13-10-4-1-3-9(7-10)8-15-12-6-2-5-11(14)16-12/h1-7H,8H2,(H,15,16).
What are the key properties of 6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine?
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine has a molecular weight of 342.03 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 63961950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).