5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine

C13H10BrN5 — CID 141449971

IUPAC5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C13H10BrN5/c14-8-5-9(12(15)17-6-8)13-18-7-11(19-13)10-3-1-2-4-16-10/h1-7H,(H2,15,17)(H,18,19)
InChIKeyNZWKRQMOPXVHSA-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.88
Rot. Bonds2

About 5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine

5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine (PubChem CID 141449971) has the molecular formula C13H10BrN5 and a molecular weight of 316.16 g/mol. Its IUPAC name is 5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine
PubChem CID141449971
Molecular FormulaC13H10BrN5
Molecular Weight316.16 g/mol
Exact Mass315.01
IUPAC Name5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C13H10BrN5/c14-8-5-9(12(15)17-6-8)13-18-7-11(19-13)10-3-1-2-4-16-10/h1-7H,(H2,15,17)(H,18,19)
InChIKeyNZWKRQMOPXVHSA-UHFFFAOYSA-N
XLogP2.88
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine
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3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
CID 141449955
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CID 118470305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine (CID 141449971) is 5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine is Nc1ncc(Br)cc1-c1ncc(-c2ccccn2)[nH]1.
What is the InChIKey of 5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine?
The InChIKey is NZWKRQMOPXVHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5/c14-8-5-9(12(15)17-6-8)13-18-7-11(19-13)10-3-1-2-4-16-10/h1-7H,(H2,15,17)(H,18,19).
What are the key properties of 5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine?
5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine has a molecular weight of 316.16 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-pyridin-2-yl-1H-imidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 141449971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).