5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine

C11H8F3N3 — CID 113423984

IUPAC5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine
SMILESNc1cncc(Nc2cc(F)cc(F)c2F)c1
InChIInChI=1S/C11H8F3N3/c12-6-1-9(13)11(14)10(2-6)17-8-3-7(15)4-16-5-8/h1-5,17H,15H2
InChIKeyQHNKXRVUDWKVHP-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.82
Rot. Bonds2

About 5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine

5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine (PubChem CID 113423984) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is 5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine
PubChem CID113423984
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC Name5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine
SMILESNc1cncc(Nc2cc(F)cc(F)c2F)c1
InChIInChI=1S/C11H8F3N3/c12-6-1-9(13)11(14)10(2-6)17-8-3-7(15)4-16-5-8/h1-5,17H,15H2
InChIKeyQHNKXRVUDWKVHP-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-N-(2,4-difluorophenyl)pyridine-3,5-diamine
CID 104532376
5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine
CID 104535596
2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine
CID 102768335
5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532239
5-N-(2-bromophenyl)pyridine-3,5-diamine
CID 104532355
2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline
CID 22348698
6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825638
5-N-(2-chlorothiophen-3-yl)pyridine-3,5-diamine
CID 130834562
5-N-naphthalen-1-ylpyridine-3,5-diamine
CID 104532218
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
3-fluoro-5-(2,3,5-trifluoroanilino)benzonitrile
CID 102816232
1-N-(3,5-dimethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506548

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine (CID 113423984) is 5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine is Nc1cncc(Nc2cc(F)cc(F)c2F)c1.
What is the InChIKey of 5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine?
The InChIKey is QHNKXRVUDWKVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-6-1-9(13)11(14)10(2-6)17-8-3-7(15)4-16-5-8/h1-5,17H,15H2.
What are the key properties of 5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine?
5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine has a molecular weight of 239.20 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine is sourced from PubChem (CID 113423984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).