5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline

C14H13BrN4O — CID 79816047

IUPAC5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCCOc1ccc2[nH]c(-c3ccc(Br)cc3N)nc2n1
InChIInChI=1S/C14H13BrN4O/c1-2-20-12-6-5-11-14(18-12)19-13(17-11)9-4-3-8(15)7-10(9)16/h3-7H,2,16H2,1H3,(H,17,18,19)
InChIKeyQSNWTXRWZRANQA-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.37
Rot. Bonds3

About 5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline

5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 79816047) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID79816047
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCCOc1ccc2[nH]c(-c3ccc(Br)cc3N)nc2n1
InChIInChI=1S/C14H13BrN4O/c1-2-20-12-6-5-11-14(18-12)19-13(17-11)9-4-3-8(15)7-10(9)16/h3-7H,2,16H2,1H3,(H,17,18,19)
InChIKeyQSNWTXRWZRANQA-UHFFFAOYSA-N
XLogP3.37
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline (CID 79816047) is 5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline is CCOc1ccc2[nH]c(-c3ccc(Br)cc3N)nc2n1.
What is the InChIKey of 5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is QSNWTXRWZRANQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-2-20-12-6-5-11-14(18-12)19-13(17-11)9-4-3-8(15)7-10(9)16/h3-7H,2,16H2,1H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 333.19 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 79816047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).