2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile

C8H6BrIN2 — CID 135395004

IUPAC2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(Br)c(C#N)c(C)c1I
InChIInChI=1S/C8H6BrIN2/c1-4-6(3-11)8(9)12-5(2)7(4)10/h1-2H3
InChIKeyVPAOQSXQEWNFDH-UHFFFAOYSA-N
MW336.96 g/mol
LogP2.94
Rot. Bonds

About 2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile

2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 135395004) has the molecular formula C8H6BrIN2 and a molecular weight of 336.96 g/mol. Its IUPAC name is 2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile
PubChem CID135395004
Molecular FormulaC8H6BrIN2
Molecular Weight336.96 g/mol
Exact Mass335.88
IUPAC Name2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(Br)c(C#N)c(C)c1I
InChIInChI=1S/C8H6BrIN2/c1-4-6(3-11)8(9)12-5(2)7(4)10/h1-2H3
InChIKeyVPAOQSXQEWNFDH-UHFFFAOYSA-N
XLogP2.94
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.96
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile (CID 135395004) is 2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile is Cc1nc(Br)c(C#N)c(C)c1I.
What is the InChIKey of 2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is VPAOQSXQEWNFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrIN2/c1-4-6(3-11)8(9)12-5(2)7(4)10/h1-2H3.
What are the key properties of 2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile?
2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 336.96 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 135395004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).