6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine

C11H10Cl2N6 — CID 113413048

IUPAC6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine
SMILESClCc1nc2cc(Cl)cnc2n1CCn1ccnn1
InChIInChI=1S/C11H10Cl2N6/c12-6-10-16-9-5-8(13)7-14-11(9)19(10)4-3-18-2-1-15-17-18/h1-2,5,7H,3-4,6H2
InChIKeyZPSCDVPPHFKESY-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.12
Rot. Bonds4

About 6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine

6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 113413048) has the molecular formula C11H10Cl2N6 and a molecular weight of 297.15 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID113413048
Molecular FormulaC11H10Cl2N6
Molecular Weight297.15 g/mol
Exact Mass296.03
IUPAC Name6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine
SMILESClCc1nc2cc(Cl)cnc2n1CCn1ccnn1
InChIInChI=1S/C11H10Cl2N6/c12-6-10-16-9-5-8(13)7-14-11(9)19(10)4-3-18-2-1-15-17-18/h1-2,5,7H,3-4,6H2
InChIKeyZPSCDVPPHFKESY-UHFFFAOYSA-N
XLogP2.12
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 106420533
3-[2-[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83115515
6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine
CID 83018919
2-[6-chloro-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150825
6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
CID 114159541
6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine
CID 113327887
2-(2-benzyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanol
CID 82150820
2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 82061704
2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
CID 82143988
6-bromo-2-(chloromethyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 79302090
1-(5-chloropentyl)triazole
CID 66780657
2-(2-chloroethyl)-5-fluoro-6-methyl-1-[2-(triazol-1-yl)ethyl]benzimidazole
CID 103593950

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine (CID 113413048) is 6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine is ClCc1nc2cc(Cl)cnc2n1CCn1ccnn1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is ZPSCDVPPHFKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N6/c12-6-10-16-9-5-8(13)7-14-11(9)19(10)4-3-18-2-1-15-17-18/h1-2,5,7H,3-4,6H2.
What are the key properties of 6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine?
6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 297.15 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 113413048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).