6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine

C14H13BrClN3S — CID 79302700

IUPAC6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCc1cc(Cn2c(CCl)nc3cc(Br)cnc32)sc1C
InChIInChI=1S/C14H13BrClN3S/c1-8-3-11(20-9(8)2)7-19-13(5-16)18-12-4-10(15)6-17-14(12)19/h3-4,6H,5,7H2,1-2H3
InChIKeyJJQTYIKZZJJWBR-UHFFFAOYSA-N
MW370.70 g/mol
LogP4.66
Rot. Bonds3

About 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine

6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 79302700) has the molecular formula C14H13BrClN3S and a molecular weight of 370.70 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID79302700
Molecular FormulaC14H13BrClN3S
Molecular Weight370.70 g/mol
Exact Mass368.97
IUPAC Name6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCc1cc(Cn2c(CCl)nc3cc(Br)cnc32)sc1C
InChIInChI=1S/C14H13BrClN3S/c1-8-3-11(20-9(8)2)7-19-13(5-16)18-12-4-10(15)6-17-14(12)19/h3-4,6H,5,7H2,1-2H3
InChIKeyJJQTYIKZZJJWBR-UHFFFAOYSA-N
XLogP4.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-(chloromethyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 79302090
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79301361
5-[2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420373
6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306867
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine
CID 79302167
6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
CID 104763494
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79302530
6-bromo-2-(chloromethyl)-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine
CID 114101198
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylethanamine
CID 79302121
5-(chloromethyl)-6-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79288195
4-[[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 79301013
6-bromo-2-(chloromethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 80585928

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine (CID 79302700) is 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine is Cc1cc(Cn2c(CCl)nc3cc(Br)cnc32)sc1C.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is JJQTYIKZZJJWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3S/c1-8-3-11(20-9(8)2)7-19-13(5-16)18-12-4-10(15)6-17-14(12)19/h3-4,6H,5,7H2,1-2H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 370.70 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).