2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C11H6BrN3O2S — CID 167937720

IUPAC2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3cscc3Br)[nH]c12
InChIInChI=1S/C11H6BrN3O2S/c12-7-4-18-3-6(7)9-14-8-5(11(16)17)1-2-13-10(8)15-9/h1-4H,(H,16,17)(H,13,14,15)
InChIKeyJBCGRCOKDSXVHA-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.15
Rot. Bonds2

About 2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 167937720) has the molecular formula C11H6BrN3O2S and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID167937720
Molecular FormulaC11H6BrN3O2S
Molecular Weight324.16 g/mol
Exact Mass322.94
IUPAC Name2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3cscc3Br)[nH]c12
InChIInChI=1S/C11H6BrN3O2S/c12-7-4-18-3-6(7)9-14-8-5(11(16)17)1-2-13-10(8)15-9/h1-4H,(H,16,17)(H,13,14,15)
InChIKeyJBCGRCOKDSXVHA-UHFFFAOYSA-N
XLogP3.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938362
2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582623
2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 114021462
2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582695
2-(2,3-difluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938268
2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68935802
2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938354
2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136923432
2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136966691
2-(6-methyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582603
2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 118484953
2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938334

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 167937720) is 2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(-c3cscc3Br)[nH]c12.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is JBCGRCOKDSXVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O2S/c12-7-4-18-3-6(7)9-14-8-5(11(16)17)1-2-13-10(8)15-9/h1-4H,(H,16,17)(H,13,14,15).
What are the key properties of 2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 324.16 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 167937720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).