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

C12H10Br2N2 — CID 63962154

IUPAC6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
SMILESBrc1cccc(NCc2ccccc2Br)n1
InChIInChI=1S/C12H10Br2N2/c13-10-5-2-1-4-9(10)8-15-12-7-3-6-11(14)16-12/h1-7H,8H2,(H,15,16)
InChIKeyGVSKYOWLGFOXJH-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.22
Rot. Bonds3

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

6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine (PubChem CID 63962154) has the molecular formula C12H10Br2N2 and a molecular weight of 342.03 g/mol. Its IUPAC name is 6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
PubChem CID63962154
Molecular FormulaC12H10Br2N2
Molecular Weight342.03 g/mol
Exact Mass339.92
IUPAC Name6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
SMILESBrc1cccc(NCc2ccccc2Br)n1
InChIInChI=1S/C12H10Br2N2/c13-10-5-2-1-4-9(10)8-15-12-7-3-6-11(14)16-12/h1-7H,8H2,(H,15,16)
InChIKeyGVSKYOWLGFOXJH-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

N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80898932
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
6-bromo-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63963216
2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine
CID 78988997
6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63961124
4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 106192569
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
1,2-bis(6-bromo-2-pyridinyl)hydrazine
CID 167065966
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
CID 103463547
N-[(2-bromophenyl)methyl]-2,6-dimethylaniline
CID 55024912

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine (CID 63962154) is 6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine is Brc1cccc(NCc2ccccc2Br)n1.
What is the InChIKey of 6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine?
The InChIKey is GVSKYOWLGFOXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2/c13-10-5-2-1-4-9(10)8-15-12-7-3-6-11(14)16-12/h1-7H,8H2,(H,15,16).
What are the key properties of 6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine?
6-bromo-N-[(2-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-[(2-bromophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 63962154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).