6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine

C14H13BrN4 — CID 79306193

IUPAC6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCCc1ccc(-n2c(N)nc3cc(Br)cnc32)cc1
InChIInChI=1S/C14H13BrN4/c1-2-9-3-5-11(6-4-9)19-13-12(18-14(19)16)7-10(15)8-17-13/h3-8H,2H2,1H3,(H2,16,18)
InChIKeyXYHNBXWHICKMRQ-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.33
Rot. Bonds2

About 6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine

6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306193) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79306193
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCCc1ccc(-n2c(N)nc3cc(Br)cnc32)cc1
InChIInChI=1S/C14H13BrN4/c1-2-9-3-5-11(6-4-9)19-13-12(18-14(19)16)7-10(15)8-17-13/h3-8H,2H2,1H3,(H2,16,18)
InChIKeyXYHNBXWHICKMRQ-UHFFFAOYSA-N
XLogP3.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine (CID 79306193) is 6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine is CCc1ccc(-n2c(N)nc3cc(Br)cnc32)cc1.
What is the InChIKey of 6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is XYHNBXWHICKMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-2-9-3-5-11(6-4-9)19-13-12(18-14(19)16)7-10(15)8-17-13/h3-8H,2H2,1H3,(H2,16,18).
What are the key properties of 6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 317.19 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).