6-amino-5-iodo-4-methylpyridine-3-carbonitrile

C7H6IN3 — CID 131521959

IUPAC6-amino-5-iodo-4-methylpyridine-3-carbonitrile
SMILESCc1c(C#N)cnc(N)c1I
InChIInChI=1S/C7H6IN3/c1-4-5(2-9)3-11-7(10)6(4)8/h3H,1H3,(H2,10,11)
InChIKeyOYVDOXFYMOQLRR-UHFFFAOYSA-N
MW259.05 g/mol
LogP1.45
Rot. Bonds

About 6-amino-5-iodo-4-methylpyridine-3-carbonitrile

6-amino-5-iodo-4-methylpyridine-3-carbonitrile (PubChem CID 131521959) has the molecular formula C7H6IN3 and a molecular weight of 259.05 g/mol. Its IUPAC name is 6-amino-5-iodo-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-iodo-4-methylpyridine-3-carbonitrile
PubChem CID131521959
Molecular FormulaC7H6IN3
Molecular Weight259.05 g/mol
Exact Mass258.96
IUPAC Name6-amino-5-iodo-4-methylpyridine-3-carbonitrile
SMILESCc1c(C#N)cnc(N)c1I
InChIInChI=1S/C7H6IN3/c1-4-5(2-9)3-11-7(10)6(4)8/h3H,1H3,(H2,10,11)
InChIKeyOYVDOXFYMOQLRR-UHFFFAOYSA-N
XLogP1.45
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
2-amino-4,5-dimethylpyridine-3-carbonitrile
CID 90296601
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
1-amino-6-methylisoquinoline-4-carbonitrile
CID 84659038
2-amino-3-methylpyridine-4-carbonitrile
CID 119015865
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
CID 130077212
4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82375874
5-ethynyl-3,4-dimethylpyridin-2-amine
CID 74789582
4-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carbonitrile
CID 116865137
4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile
CID 114755552
4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile
CID 53407869
5-ethenyl-4,6-dimethylpyridine-3-carbonitrile
CID 166951007

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-iodo-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-iodo-4-methylpyridine-3-carbonitrile (CID 131521959) is 6-amino-5-iodo-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-iodo-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-iodo-4-methylpyridine-3-carbonitrile is Cc1c(C#N)cnc(N)c1I.
What is the InChIKey of 6-amino-5-iodo-4-methylpyridine-3-carbonitrile?
The InChIKey is OYVDOXFYMOQLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3/c1-4-5(2-9)3-11-7(10)6(4)8/h3H,1H3,(H2,10,11).
What are the key properties of 6-amino-5-iodo-4-methylpyridine-3-carbonitrile?
6-amino-5-iodo-4-methylpyridine-3-carbonitrile has a molecular weight of 259.05 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-iodo-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 131521959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).