2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine

C12H11ClIN3 — CID 107606139

IUPAC2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(Nc2ccc(I)cc2Cl)ccc1N
InChIInChI=1S/C12H11ClIN3/c1-7-10(15)3-5-12(16-7)17-11-4-2-8(14)6-9(11)13/h2-6H,15H2,1H3,(H,16,17)
InChIKeyZIYOIVYDQRFWKK-UHFFFAOYSA-N
MW359.60 g/mol
LogP3.97
Rot. Bonds2

About 2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine

2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine (PubChem CID 107606139) has the molecular formula C12H11ClIN3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine
PubChem CID107606139
Molecular FormulaC12H11ClIN3
Molecular Weight359.60 g/mol
Exact Mass358.97
IUPAC Name2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(Nc2ccc(I)cc2Cl)ccc1N
InChIInChI=1S/C12H11ClIN3/c1-7-10(15)3-5-12(16-7)17-11-4-2-8(14)6-9(11)13/h2-6H,15H2,1H3,(H,16,17)
InChIKeyZIYOIVYDQRFWKK-UHFFFAOYSA-N
XLogP3.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 53.97
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

4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003341
2-(2-chloro-4-iodoanilino)-6-methylpyridine-3-carbothioamide
CID 107606748
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107604772
2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261762
6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine
CID 107606267
2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
CID 103410626
4-iodo-1-N-(2,4,5-trichlorophenyl)benzene-1,2-diamine
CID 66066255
N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine
CID 107605201
4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107604736
methyl 6-(2-chloro-4-iodoanilino)pyrazine-2-carboxylate
CID 107607035

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine (CID 107606139) is 2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine is Cc1nc(Nc2ccc(I)cc2Cl)ccc1N.
What is the InChIKey of 2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine?
The InChIKey is ZIYOIVYDQRFWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3/c1-7-10(15)3-5-12(16-7)17-11-4-2-8(14)6-9(11)13/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine?
2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine has a molecular weight of 359.60 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 107606139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).