2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine

C11H9ClIN3 — CID 107634143

IUPAC2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccc(Cl)cc2I)nc1
InChIInChI=1S/C11H9ClIN3/c12-7-1-3-10(9(13)5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2,(H,15,16)
InChIKeyGMNBSTLUYZUDIS-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.67
Rot. Bonds2

About 2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine

2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine (PubChem CID 107634143) has the molecular formula C11H9ClIN3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine
PubChem CID107634143
Molecular FormulaC11H9ClIN3
Molecular Weight345.57 g/mol
Exact Mass344.95
IUPAC Name2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccc(Cl)cc2I)nc1
InChIInChI=1S/C11H9ClIN3/c12-7-1-3-10(9(13)5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2,(H,15,16)
InChIKeyGMNBSTLUYZUDIS-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine
CID 107634251
2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine
CID 29066900
4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
CID 107634128
5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine
CID 114049909
4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107639116
2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine
CID 107608978
2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 61467027
ethyl 5-amino-2-(4-chloro-2-iodoanilino)benzoate
CID 107637817
2-chloro-N-(4-chloro-2-iodophenyl)pyridin-4-amine
CID 107637140
N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107639573
4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
CID 107624122
2-(4-chloro-2-iodoanilino)pyridine-3-carbothioamide
CID 107635581

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine (CID 107634143) is 2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine is Nc1ccc(Nc2ccc(Cl)cc2I)nc1.
What is the InChIKey of 2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine?
The InChIKey is GMNBSTLUYZUDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN3/c12-7-1-3-10(9(13)5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2,(H,15,16).
What are the key properties of 2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine?
2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine has a molecular weight of 345.57 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 107634143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).