2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide

C14H11BrN4O — CID 14390402

IUPAC2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESNC(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21
InChIInChI=1S/C14H11BrN4O/c15-10-5-3-9(4-6-10)13-18-11-2-1-7-17-14(11)19(13)8-12(16)20/h1-7H,8H2,(H2,16,20)
InChIKeyUNOVDXMVXZMZEO-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.35
Rot. Bonds3

About 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide

2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 14390402) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID14390402
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESNC(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21
InChIInChI=1S/C14H11BrN4O/c15-10-5-3-9(4-6-10)13-18-11-2-1-7-17-14(11)19(13)8-12(16)20/h1-7H,8H2,(H2,16,20)
InChIKeyUNOVDXMVXZMZEO-UHFFFAOYSA-N
XLogP2.35
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide (CID 14390402) is 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide is NC(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21.
What is the InChIKey of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is UNOVDXMVXZMZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c15-10-5-3-9(4-6-10)13-18-11-2-1-7-17-14(11)19(13)8-12(16)20/h1-7H,8H2,(H2,16,20).
What are the key properties of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide?
2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 331.17 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 14390402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).