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

C14H15FIN3 — CID 104535267

IUPAC5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2ccc(F)cc2I)c1
InChIInChI=1S/C14H15FIN3/c1-2-5-18-11-7-12(9-17-8-11)19-14-4-3-10(15)6-13(14)16/h3-4,6-9,18-19H,2,5H2,1H3
InChIKeyXXPAKHYORLFHCH-UHFFFAOYSA-N
MW371.20 g/mol
LogP4.39
Rot. Bonds5

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

5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104535267) has the molecular formula C14H15FIN3 and a molecular weight of 371.20 g/mol. Its IUPAC name is 5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104535267
Molecular FormulaC14H15FIN3
Molecular Weight371.20 g/mol
Exact Mass371.03
IUPAC Name5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2ccc(F)cc2I)c1
InChIInChI=1S/C14H15FIN3/c1-2-5-18-11-7-12(9-17-8-11)19-14-4-3-10(15)6-13(14)16/h3-4,6-9,18-19H,2,5H2,1H3
InChIKeyXXPAKHYORLFHCH-UHFFFAOYSA-N
XLogP4.39
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 54.39
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-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
CID 104532161
5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532100
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
CID 102758994
5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532112
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532272
5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532143
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532755
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine (CID 104535267) is 5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(Nc2ccc(F)cc2I)c1.
What is the InChIKey of 5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is XXPAKHYORLFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FIN3/c1-2-5-18-11-7-12(9-17-8-11)19-14-4-3-10(15)6-13(14)16/h3-4,6-9,18-19H,2,5H2,1H3.
What are the key properties of 5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine?
5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 371.20 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104535267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).