4-iodo-6-methylpyridine-2-carbonitrile

C7H5IN2 — CID 46835594

IUPAC4-iodo-6-methylpyridine-2-carbonitrile
SMILESCc1cc(I)cc(C#N)n1
InChIInChI=1S/C7H5IN2/c1-5-2-6(8)3-7(4-9)10-5/h2-3H,1H3
InChIKeyKTNIGAUMPOGEFS-UHFFFAOYSA-N
MW244.03 g/mol
LogP1.87
Rot. Bonds

About 4-iodo-6-methylpyridine-2-carbonitrile

4-iodo-6-methylpyridine-2-carbonitrile (PubChem CID 46835594) has the molecular formula C7H5IN2 and a molecular weight of 244.03 g/mol. Its IUPAC name is 4-iodo-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-iodo-6-methylpyridine-2-carbonitrile
PubChem CID46835594
Molecular FormulaC7H5IN2
Molecular Weight244.03 g/mol
Exact Mass243.95
IUPAC Name4-iodo-6-methylpyridine-2-carbonitrile
SMILESCc1cc(I)cc(C#N)n1
InChIInChI=1S/C7H5IN2/c1-5-2-6(8)3-7(4-9)10-5/h2-3H,1H3
InChIKeyKTNIGAUMPOGEFS-UHFFFAOYSA-N
XLogP1.87
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.03
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-methylpyridine-2-carbonitrile?
The IUPAC name of 4-iodo-6-methylpyridine-2-carbonitrile (CID 46835594) is 4-iodo-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-iodo-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-iodo-6-methylpyridine-2-carbonitrile is Cc1cc(I)cc(C#N)n1.
What is the InChIKey of 4-iodo-6-methylpyridine-2-carbonitrile?
The InChIKey is KTNIGAUMPOGEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2/c1-5-2-6(8)3-7(4-9)10-5/h2-3H,1H3.
What are the key properties of 4-iodo-6-methylpyridine-2-carbonitrile?
4-iodo-6-methylpyridine-2-carbonitrile has a molecular weight of 244.03 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 46835594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).