4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline

C14H13BrN4 — CID 115296275

IUPAC4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
SMILESCCn1c(-c2cc(N)ccc2Br)nc2cccnc21
InChIInChI=1S/C14H13BrN4/c1-2-19-13(10-8-9(16)5-6-11(10)15)18-12-4-3-7-17-14(12)19/h3-8H,2,16H2,1H3
InChIKeyVVMVFIWCJZHTGI-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.46
Rot. Bonds2

About 4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline

4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 115296275) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID115296275
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
SMILESCCn1c(-c2cc(N)ccc2Br)nc2cccnc21
InChIInChI=1S/C14H13BrN4/c1-2-19-13(10-8-9(16)5-6-11(10)15)18-12-4-3-7-17-14(12)19/h3-8H,2,16H2,1H3
InChIKeyVVMVFIWCJZHTGI-UHFFFAOYSA-N
XLogP3.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
CID 55241902
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
CID 136789710
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyridin-3-amine
CID 63757128
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline
CID 115411353
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
CID 115411352
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline
CID 63758337
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol
CID 63757477
4-bromo-3-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 115296231
4-bromo-3-(1-methylbenzimidazol-2-yl)aniline
CID 113281116
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)phenol
CID 63757136
3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline
CID 107793649

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline (CID 115296275) is 4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline is CCn1c(-c2cc(N)ccc2Br)nc2cccnc21.
What is the InChIKey of 4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is VVMVFIWCJZHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-2-19-13(10-8-9(16)5-6-11(10)15)18-12-4-3-7-17-14(12)19/h3-8H,2,16H2,1H3.
What are the key properties of 4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline?
4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 317.19 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 115296275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).