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

C13H10BrN5 — CID 114717768

IUPAC4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cncn2-c2ccc(Br)cn2)ccn1
InChIInChI=1S/C13H10BrN5/c14-10-1-2-13(18-6-10)19-8-16-7-11(19)9-3-4-17-12(15)5-9/h1-8H,(H2,15,17)
InChIKeyXBMYCQJMAUQYDL-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.67
Rot. Bonds2

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

4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114717768) has the molecular formula C13H10BrN5 and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114717768
Molecular FormulaC13H10BrN5
Molecular Weight316.16 g/mol
Exact Mass315.01
IUPAC Name4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cncn2-c2ccc(Br)cn2)ccn1
InChIInChI=1S/C13H10BrN5/c14-10-1-2-13(18-6-10)19-8-16-7-11(19)9-3-4-17-12(15)5-9/h1-8H,(H2,15,17)
InChIKeyXBMYCQJMAUQYDL-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114716657
2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-4-bromobenzonitrile
CID 107802197
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
4-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114721081
4-[3-(2-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716273
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
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
CID 114703974
(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine
CID 104942155
4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114721670

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine (CID 114717768) is 4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine is Nc1cc(-c2cncn2-c2ccc(Br)cn2)ccn1.
What is the InChIKey of 4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is XBMYCQJMAUQYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5/c14-10-1-2-13(18-6-10)19-8-16-7-11(19)9-3-4-17-12(15)5-9/h1-8H,(H2,15,17).
What are the key properties of 4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 316.16 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114717768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).