2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine

C10H13BrN4 — CID 62328822

IUPAC2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine
SMILESCCNCCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C10H13BrN4/c1-2-12-4-3-9-14-8-5-7(11)6-13-10(8)15-9/h5-6,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyNXNWJTHTELYREZ-UHFFFAOYSA-N
MW269.15 g/mol
LogP1.87
Rot. Bonds4

About 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine

2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine (PubChem CID 62328822) has the molecular formula C10H13BrN4 and a molecular weight of 269.15 g/mol. Its IUPAC name is 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine
PubChem CID62328822
Molecular FormulaC10H13BrN4
Molecular Weight269.15 g/mol
Exact Mass268.03
IUPAC Name2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine
SMILESCCNCCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C10H13BrN4/c1-2-12-4-3-9-14-8-5-7(11)6-13-10(8)15-9/h5-6,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyNXNWJTHTELYREZ-UHFFFAOYSA-N
XLogP1.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine (CID 62328822) is 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine is CCNCCc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine?
The InChIKey is NXNWJTHTELYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4/c1-2-12-4-3-9-14-8-5-7(11)6-13-10(8)15-9/h5-6,12H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine?
2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine has a molecular weight of 269.15 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine is sourced from PubChem (CID 62328822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).