6-bromo-3-methoxypyridine-2-carbonitrile

C7H5BrN2O — CID 22560740

IUPAC6-bromo-3-methoxypyridine-2-carbonitrile
SMILESCOc1ccc(Br)nc1C#N
InChIInChI=1S/C7H5BrN2O/c1-11-6-2-3-7(8)10-5(6)4-9/h2-3H,1H3
InChIKeyFREQJRIMGDBMEJ-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.72
Rot. Bonds1

About 6-bromo-3-methoxypyridine-2-carbonitrile

6-bromo-3-methoxypyridine-2-carbonitrile (PubChem CID 22560740) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 6-bromo-3-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-3-methoxypyridine-2-carbonitrile
PubChem CID22560740
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name6-bromo-3-methoxypyridine-2-carbonitrile
SMILESCOc1ccc(Br)nc1C#N
InChIInChI=1S/C7H5BrN2O/c1-11-6-2-3-7(8)10-5(6)4-9/h2-3H,1H3
InChIKeyFREQJRIMGDBMEJ-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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Related Compounds

6-amino-3-methoxypyridine-2-carbonitrile
CID 118607484
6-(bromomethyl)-3-methoxypyridine-2-carbonitrile
CID 96536885
(6-bromo-3-methoxy-2-pyridinyl) thiocyanate
CID 126554402
6-bromo-3-fluoropyridine-2-carbonitrile
CID 86333894
ethyl 6-cyano-5-methoxypyridine-2-carboxylate
CID 133097463
6-bromo-2-isothiocyanato-3-methoxypyridine
CID 122702567
3-(6-bromo-2-pyridinyl)-4-methoxybenzonitrile
CID 106951430
6-bromo-3-(diethoxymethyl)pyridine-2-carbonitrile;ethane
CID 178088879
2,5-dibromo-8-methoxyquinoline
CID 102941160
6-methoxy-3-propan-2-ylpyridine-2-carbonitrile
CID 167457221
6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile
CID 130076438
2-bromo-8-fluoro-5-methoxyquinoline
CID 102941272

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxypyridine-2-carbonitrile?
The IUPAC name of 6-bromo-3-methoxypyridine-2-carbonitrile (CID 22560740) is 6-bromo-3-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-3-methoxypyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-3-methoxypyridine-2-carbonitrile is COc1ccc(Br)nc1C#N.
What is the InChIKey of 6-bromo-3-methoxypyridine-2-carbonitrile?
The InChIKey is FREQJRIMGDBMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c1-11-6-2-3-7(8)10-5(6)4-9/h2-3H,1H3.
What are the key properties of 6-bromo-3-methoxypyridine-2-carbonitrile?
6-bromo-3-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-3-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 22560740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).