4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine

C14H10BrFN4 — CID 114716657

IUPAC4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cncn2-c2ccc(Br)cc2F)ccn1
InChIInChI=1S/C14H10BrFN4/c15-10-1-2-12(11(16)6-10)20-8-18-7-13(20)9-3-4-19-14(17)5-9/h1-8H,(H2,17,19)
InChIKeySJTPZVPOMODIIU-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.42
Rot. Bonds2

About 4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine

4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114716657) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114716657
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cncn2-c2ccc(Br)cc2F)ccn1
InChIInChI=1S/C14H10BrFN4/c15-10-1-2-12(11(16)6-10)20-8-18-7-13(20)9-3-4-19-14(17)5-9/h1-8H,(H2,17,19)
InChIKeySJTPZVPOMODIIU-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

4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114717768
2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile
CID 107802197
4-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114721081
5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 107608575
4-[3-(2-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716273
4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile
CID 114717129
4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114720752
1-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969435
4-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720076
4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717172
4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717854
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114718576

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine (CID 114716657) is 4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine is Nc1cc(-c2cncn2-c2ccc(Br)cc2F)ccn1.
What is the InChIKey of 4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is SJTPZVPOMODIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-10-1-2-12(11(16)6-10)20-8-18-7-13(20)9-3-4-19-14(17)5-9/h1-8H,(H2,17,19).
What are the key properties of 4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-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 4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114716657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).