5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine

C14H9BrF2N4 — CID 107608575

IUPAC5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2-c2cc(F)c(Br)cc2F)cn1
InChIInChI=1S/C14H9BrF2N4/c15-9-3-11(17)12(4-10(9)16)21-7-19-6-13(21)8-1-2-14(18)20-5-8/h1-7H,(H2,18,20)
InChIKeyKVYOGMQGPMYSQX-UHFFFAOYSA-N
MW351.15 g/mol
LogP3.56
Rot. Bonds2

About 5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine

5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 107608575) has the molecular formula C14H9BrF2N4 and a molecular weight of 351.15 g/mol. Its IUPAC name is 5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine
PubChem CID107608575
Molecular FormulaC14H9BrF2N4
Molecular Weight351.15 g/mol
Exact Mass350.00
IUPAC Name5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2-c2cc(F)c(Br)cc2F)cn1
InChIInChI=1S/C14H9BrF2N4/c15-9-3-11(17)12(4-10(9)16)21-7-19-6-13(21)8-1-2-14(18)20-5-8/h1-7H,(H2,18,20)
InChIKeyKVYOGMQGPMYSQX-UHFFFAOYSA-N
XLogP3.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114716657
4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol
CID 114720896
5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114718720
3-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-4-fluoroaniline
CID 106819399
5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine
CID 115113730
2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile
CID 107802197
5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine
CID 114721619
5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720108
5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 106041274
3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114720772
5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114719554
5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720404

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine (CID 107608575) is 5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cncn2-c2cc(F)c(Br)cc2F)cn1.
What is the InChIKey of 5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is KVYOGMQGPMYSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N4/c15-9-3-11(17)12(4-10(9)16)21-7-19-6-13(21)8-1-2-14(18)20-5-8/h1-7H,(H2,18,20).
What are the key properties of 5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine?
5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 351.15 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 107608575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).