3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine

C14H10BrFN4 — CID 114720772

IUPAC3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1-c1ccc(Br)c(F)c1
InChIInChI=1S/C14H10BrFN4/c15-11-2-1-9(5-12(11)16)20-8-19-7-14(20)10-6-18-4-3-13(10)17/h1-8H,(H2,17,18)
InChIKeyLVEBYSZEIMDFFL-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.42
Rot. Bonds2

About 3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine

3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 114720772) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine
PubChem CID114720772
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1-c1ccc(Br)c(F)c1
InChIInChI=1S/C14H10BrFN4/c15-11-2-1-9(5-12(11)16)20-8-19-7-14(20)10-6-18-4-3-13(10)17/h1-8H,(H2,17,18)
InChIKeyLVEBYSZEIMDFFL-UHFFFAOYSA-N
XLogP3.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721634
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-(3-bromo-5-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721657
3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114716552
2-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114720765
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
3-[3-(4-fluoro-2-methylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114716848
3-[3-(3,4-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114717143
3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721261
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114720350
3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114717814

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine (CID 114720772) is 3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine is Nc1ccncc1-c1cncn1-c1ccc(Br)c(F)c1.
What is the InChIKey of 3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is LVEBYSZEIMDFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-11-2-1-9(5-12(11)16)20-8-19-7-14(20)10-6-18-4-3-13(10)17/h1-8H,(H2,17,18).
What are the key properties of 3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 333.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114720772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).