3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine

C14H13Cl2FIN3 — CID 102758994

IUPAC3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccc(F)cc2I)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2FIN3/c1-2-5-19-13-9(15)7-10(16)14(21-13)20-12-4-3-8(17)6-11(12)18/h3-4,6-7H,2,5H2,1H3,(H2,19,20,21)
InChIKeyLUZJFUORWCLFAJ-UHFFFAOYSA-N
MW440.09 g/mol
LogP5.70
Rot. Bonds5

About 3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102758994) has the molecular formula C14H13Cl2FIN3 and a molecular weight of 440.09 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
PubChem CID102758994
Molecular FormulaC14H13Cl2FIN3
Molecular Weight440.09 g/mol
Exact Mass438.95
IUPAC Name3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccc(F)cc2I)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2FIN3/c1-2-5-19-13-9(15)7-10(16)14(21-13)20-12-4-3-8(17)6-11(12)18/h3-4,6-7H,2,5H2,1H3,(H2,19,20,21)
InChIKeyLUZJFUORWCLFAJ-UHFFFAOYSA-N
XLogP5.70
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.09
LogP ≤ 55.70
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

3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165
3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755080
5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
CID 104535267
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102756873
3,5-dichloro-6-(2,4-difluorophenoxy)-N-propylpyridin-2-amine
CID 102760578
3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755202
3,5-dichloro-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine
CID 102989029
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine (CID 102758994) is 3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(Nc2ccc(F)cc2I)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is LUZJFUORWCLFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FIN3/c1-2-5-19-13-9(15)7-10(16)14(21-13)20-12-4-3-8(17)6-11(12)18/h3-4,6-7H,2,5H2,1H3,(H2,19,20,21).
What are the key properties of 3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 440.09 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102758994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).