4-bromo-3-(bromomethyl)pyridin-2-amine

C6H6Br2N2 — CID 119002131

IUPAC4-bromo-3-(bromomethyl)pyridin-2-amine
SMILESNc1nccc(Br)c1CBr
InChIInChI=1S/C6H6Br2N2/c7-3-4-5(8)1-2-10-6(4)9/h1-2H,3H2,(H2,9,10)
InChIKeyXONCEMDOJUNGLK-UHFFFAOYSA-N
MW265.94 g/mol
LogP2.32
Rot. Bonds1

About 4-bromo-3-(bromomethyl)pyridin-2-amine

4-bromo-3-(bromomethyl)pyridin-2-amine (PubChem CID 119002131) has the molecular formula C6H6Br2N2 and a molecular weight of 265.94 g/mol. Its IUPAC name is 4-bromo-3-(bromomethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-3-(bromomethyl)pyridin-2-amine
PubChem CID119002131
Molecular FormulaC6H6Br2N2
Molecular Weight265.94 g/mol
Exact Mass263.89
IUPAC Name4-bromo-3-(bromomethyl)pyridin-2-amine
SMILESNc1nccc(Br)c1CBr
InChIInChI=1S/C6H6Br2N2/c7-3-4-5(8)1-2-10-6(4)9/h1-2H,3H2,(H2,9,10)
InChIKeyXONCEMDOJUNGLK-UHFFFAOYSA-N
XLogP2.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.94
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(fluoromethyl)pyridin-2-amine
CID 175739414
3-(3-bromo-2-methylpropyl)-4-methylpyridin-2-amine
CID 64671976
8-bromopyrido[3,2-d]pyrimidin-4-amine
CID 172552100
3-bromo-4-fluoropyridin-2-amine
CID 71627068
5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine
CID 130883683
7-bromo-8-(bromomethyl)-4-phenylquinoline
CID 164761400
3-(bromomethyl)-2,4-dimethylpyridine
CID 59589473
4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine
CID 177314312
3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
CID 130098692
[2-amino-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118704003
3-(2-phenylethyl)pyridine-2,4-diamine
CID 158167465
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(bromomethyl)pyridin-2-amine?
The IUPAC name of 4-bromo-3-(bromomethyl)pyridin-2-amine (CID 119002131) is 4-bromo-3-(bromomethyl)pyridin-2-amine.
What is the SMILES notation for 4-bromo-3-(bromomethyl)pyridin-2-amine?
The canonical SMILES for 4-bromo-3-(bromomethyl)pyridin-2-amine is Nc1nccc(Br)c1CBr.
What is the InChIKey of 4-bromo-3-(bromomethyl)pyridin-2-amine?
The InChIKey is XONCEMDOJUNGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2/c7-3-4-5(8)1-2-10-6(4)9/h1-2H,3H2,(H2,9,10).
What are the key properties of 4-bromo-3-(bromomethyl)pyridin-2-amine?
4-bromo-3-(bromomethyl)pyridin-2-amine has a molecular weight of 265.94 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(bromomethyl)pyridin-2-amine is sourced from PubChem (CID 119002131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).