6-bromo-5-methoxypyridine-2-carbonitrile

C7H5BrN2O — CID 57484709

IUPAC6-bromo-5-methoxypyridine-2-carbonitrile
SMILESCOc1ccc(C#N)nc1Br
InChIInChI=1S/C7H5BrN2O/c1-11-6-3-2-5(4-9)10-7(6)8/h2-3H,1H3
InChIKeyVDEZFORNGSDBIW-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.72
Rot. Bonds1

About 6-bromo-5-methoxypyridine-2-carbonitrile

6-bromo-5-methoxypyridine-2-carbonitrile (PubChem CID 57484709) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 6-bromo-5-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-5-methoxypyridine-2-carbonitrile
PubChem CID57484709
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name6-bromo-5-methoxypyridine-2-carbonitrile
SMILESCOc1ccc(C#N)nc1Br
InChIInChI=1S/C7H5BrN2O/c1-11-6-3-2-5(4-9)10-7(6)8/h2-3H,1H3
InChIKeyVDEZFORNGSDBIW-UHFFFAOYSA-N
XLogP1.72
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.72
H-Bond Donors ≤ 50
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 6-bromo-5-methoxypyridine-2-carbonitrile?
The IUPAC name of 6-bromo-5-methoxypyridine-2-carbonitrile (CID 57484709) is 6-bromo-5-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-5-methoxypyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-5-methoxypyridine-2-carbonitrile is COc1ccc(C#N)nc1Br.
What is the InChIKey of 6-bromo-5-methoxypyridine-2-carbonitrile?
The InChIKey is VDEZFORNGSDBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c1-11-6-3-2-5(4-9)10-7(6)8/h2-3H,1H3.
What are the key properties of 6-bromo-5-methoxypyridine-2-carbonitrile?
6-bromo-5-methoxypyridine-2-carbonitrile has a molecular weight of 213.03 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 57484709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).