3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine

C14H9F3N4 — CID 114716552

IUPAC3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C14H9F3N4/c15-9-1-2-11(14(17)13(9)16)21-7-20-6-12(21)8-5-19-4-3-10(8)18/h1-7H,(H2,18,19)
InChIKeySMKGSZIOPXFALC-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.93
Rot. Bonds2

About 3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine

3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 114716552) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine
PubChem CID114716552
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C14H9F3N4/c15-9-1-2-11(14(17)13(9)16)21-7-20-6-12(21)8-5-19-4-3-10(8)18/h1-7H,(H2,18,19)
InChIKeySMKGSZIOPXFALC-UHFFFAOYSA-N
XLogP2.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114717814
3-[3-(4-fluoro-2-methylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114716848
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114720350
3-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721205
3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine
CID 107649079
3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114720772
3-[3-(2,5-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114716803
3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114717015
3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114717514
3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721634
3-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721657
3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721261

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine (CID 114716552) is 3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine is Nc1ccncc1-c1cncn1-c1ccc(F)c(F)c1F.
What is the InChIKey of 3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is SMKGSZIOPXFALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-9-1-2-11(14(17)13(9)16)21-7-20-6-12(21)8-5-19-4-3-10(8)18/h1-7H,(H2,18,19).
What are the key properties of 3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 290.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114716552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).