2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine

C12H12IN3 — CID 79172818

IUPAC2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccc(I)cc2)ncc1N
InChIInChI=1S/C12H12IN3/c1-8-6-12(15-7-11(8)14)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeySJNCNWSTNHWUBG-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.32
Rot. Bonds2

About 2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine

2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine (PubChem CID 79172818) has the molecular formula C12H12IN3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
PubChem CID79172818
Molecular FormulaC12H12IN3
Molecular Weight325.15 g/mol
Exact Mass325.01
IUPAC Name2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccc(I)cc2)ncc1N
InChIInChI=1S/C12H12IN3/c1-8-6-12(15-7-11(8)14)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeySJNCNWSTNHWUBG-UHFFFAOYSA-N
XLogP3.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
CID 82061094
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
4-methyl-2-N-quinolin-6-ylpyridine-2,5-diamine
CID 79176038
2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
CID 79175673
3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 104506329
5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid
CID 82061059
2-N-(2,4-dibromophenyl)-4-methylpyridine-2,5-diamine
CID 79173349

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine (CID 79172818) is 2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine is Cc1cc(Nc2ccc(I)cc2)ncc1N.
What is the InChIKey of 2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is SJNCNWSTNHWUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3/c1-8-6-12(15-7-11(8)14)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine?
2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 325.15 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79172818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).