acetonitrile;6-bromopyridin-2-amine

C7H8BrN3 — CID 174954526

IUPACacetonitrile;6-bromopyridin-2-amine
SMILESCC#N.Nc1cccc(Br)n1
InChIInChI=1S/C5H5BrN2.C2H3N/c6-4-2-1-3-5(7)8-4;1-2-3/h1-3H,(H2,7,8);1H3
InChIKeyFIZKQZCIASKXJR-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.96
Rot. Bonds

About acetonitrile;6-bromopyridin-2-amine

acetonitrile;6-bromopyridin-2-amine (PubChem CID 174954526) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is acetonitrile;6-bromopyridin-2-amine.

Molecular Properties

Compound Nameacetonitrile;6-bromopyridin-2-amine
PubChem CID174954526
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Nameacetonitrile;6-bromopyridin-2-amine
SMILESCC#N.Nc1cccc(Br)n1
InChIInChI=1S/C5H5BrN2.C2H3N/c6-4-2-1-3-5(7)8-4;1-2-3/h1-3H,(H2,7,8);1H3
InChIKeyFIZKQZCIASKXJR-UHFFFAOYSA-N
XLogP1.96
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;6-bromopyridin-2-amine?
The IUPAC name of acetonitrile;6-bromopyridin-2-amine (CID 174954526) is acetonitrile;6-bromopyridin-2-amine.
What is the SMILES notation for acetonitrile;6-bromopyridin-2-amine?
The canonical SMILES for acetonitrile;6-bromopyridin-2-amine is CC#N.Nc1cccc(Br)n1.
What is the InChIKey of acetonitrile;6-bromopyridin-2-amine?
The InChIKey is FIZKQZCIASKXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2.C2H3N/c6-4-2-1-3-5(7)8-4;1-2-3/h1-3H,(H2,7,8);1H3.
What are the key properties of acetonitrile;6-bromopyridin-2-amine?
acetonitrile;6-bromopyridin-2-amine has a molecular weight of 214.07 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;6-bromopyridin-2-amine is sourced from PubChem (CID 174954526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).