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

C8H7IN2 — CID 89146475

IUPAC6-iodo-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(I)nc(C)c1C#N
InChIInChI=1S/C8H7IN2/c1-5-3-8(9)11-6(2)7(5)4-10/h3H,1-2H3
InChIKeyQCBZLDDHMFXQHO-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.17
Rot. Bonds

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

6-iodo-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 89146475) has the molecular formula C8H7IN2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 6-iodo-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-iodo-2,4-dimethylpyridine-3-carbonitrile
PubChem CID89146475
Molecular FormulaC8H7IN2
Molecular Weight258.06 g/mol
Exact Mass257.97
IUPAC Name6-iodo-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(I)nc(C)c1C#N
InChIInChI=1S/C8H7IN2/c1-5-3-8(9)11-6(2)7(5)4-10/h3H,1-2H3
InChIKeyQCBZLDDHMFXQHO-UHFFFAOYSA-N
XLogP2.17
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.17
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 6-iodo-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-iodo-2,4-dimethylpyridine-3-carbonitrile (CID 89146475) is 6-iodo-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-iodo-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-iodo-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(I)nc(C)c1C#N.
What is the InChIKey of 6-iodo-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is QCBZLDDHMFXQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2/c1-5-3-8(9)11-6(2)7(5)4-10/h3H,1-2H3.
What are the key properties of 6-iodo-2,4-dimethylpyridine-3-carbonitrile?
6-iodo-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 258.06 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 89146475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).