6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine

C14H9BrCl2FN3 — CID 107529559

IUPAC6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(Cl)c(-n2c(CCCl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C14H9BrCl2FN3/c15-8-5-11-14(19-7-8)21(13(20-11)3-4-16)12-6-9(18)1-2-10(12)17/h1-2,5-7H,3-4H2
InChIKeyKYCKDMKJYNMENV-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.76
Rot. Bonds3

About 6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 107529559) has the molecular formula C14H9BrCl2FN3 and a molecular weight of 389.06 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
PubChem CID107529559
Molecular FormulaC14H9BrCl2FN3
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(Cl)c(-n2c(CCCl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C14H9BrCl2FN3/c15-8-5-11-14(19-7-8)21(13(20-11)3-4-16)12-6-9(18)1-2-10(12)17/h1-2,5-7H,3-4H2
InChIKeyKYCKDMKJYNMENV-UHFFFAOYSA-N
XLogP4.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79279326
6-bromo-3-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279160
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81281193
6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107529612
6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415
6-bromo-2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79302170
6-bromo-3-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 107614215
6-bromo-2-(2-chloroethyl)-3-(3-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79278413
6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280595
6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine
CID 79302168
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279269
2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79280178

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine (CID 107529559) is 6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine is Fc1ccc(Cl)c(-n2c(CCCl)nc3cc(Br)cnc32)c1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is KYCKDMKJYNMENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2FN3/c15-8-5-11-14(19-7-8)21(13(20-11)3-4-16)12-6-9(18)1-2-10(12)17/h1-2,5-7H,3-4H2.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 389.06 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 107529559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).