6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid

C15H11BrF3N3O3 — CID 69377270

IUPAC6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H10BrN3O.C2HF3O2/c1-18-10-4-2-3-8(5-10)12-16-11-6-9(14)7-15-13(11)17-12;3-2(4,5)1(6)7/h2-7H,1H3,(H,15,16,17);(H,6,7)
InChIKeyCGUCTLXDQXTVBM-UHFFFAOYSA-N
MW418.17 g/mol
LogP4.03
Rot. Bonds2

About 6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid

6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 69377270) has the molecular formula C15H11BrF3N3O3 and a molecular weight of 418.17 g/mol. Its IUPAC name is 6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
PubChem CID69377270
Molecular FormulaC15H11BrF3N3O3
Molecular Weight418.17 g/mol
Exact Mass416.99
IUPAC Name6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H10BrN3O.C2HF3O2/c1-18-10-4-2-3-8(5-10)12-16-11-6-9(14)7-15-13(11)17-12;3-2(4,5)1(6)7/h2-7H,1H3,(H,15,16,17);(H,6,7)
InChIKeyCGUCTLXDQXTVBM-UHFFFAOYSA-N
XLogP4.03
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.17
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 23026040
6-bromo-2-[4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 87735688
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-chloropropan-2-ol;2,2,2-trifluoroacetic acid
CID 69209619
N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 87735307
6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 87736156
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 87736334
6-bromo-2-naphthalen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025864
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(thiophen-3-ylmethyl)aniline;bis(2,2,2-trifluoroacetic acid)
CID 87736385
N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 87735895
2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82795992
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline;bis(2,2,2-trifluoroacetic acid)
CID 87735409

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid (CID 69377270) is 6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid is COc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is CGUCTLXDQXTVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O.C2HF3O2/c1-18-10-4-2-3-8(5-10)12-16-11-6-9(14)7-15-13(11)17-12;3-2(4,5)1(6)7/h2-7H,1H3,(H,15,16,17);(H,6,7).
What are the key properties of 6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 418.17 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69377270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).