6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine

C11H8Cl2F3N3 — CID 114159541

IUPAC6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
SMILESFC(F)(F)C1(n2c(CCl)nc3cc(Cl)cnc32)CC1
InChIInChI=1S/C11H8Cl2F3N3/c12-4-8-18-7-3-6(13)5-17-9(7)19(8)10(1-2-10)11(14,15)16/h3,5H,1-2,4H2
InChIKeyVGXBSDCUNDUQIN-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.87
Rot. Bonds2

About 6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine

6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine (PubChem CID 114159541) has the molecular formula C11H8Cl2F3N3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
PubChem CID114159541
Molecular FormulaC11H8Cl2F3N3
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
SMILESFC(F)(F)C1(n2c(CCl)nc3cc(Cl)cnc32)CC1
InChIInChI=1S/C11H8Cl2F3N3/c12-4-8-18-7-3-6(13)5-17-9(7)19(8)10(1-2-10)11(14,15)16/h3,5H,1-2,4H2
InChIKeyVGXBSDCUNDUQIN-UHFFFAOYSA-N
XLogP3.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.87
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-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216922
5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216982
5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 106420533
2-(2-chloroethyl)-5-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
CID 106216975
6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine
CID 83018919
6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107529612
6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine
CID 113413048
6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine
CID 106216801
6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine
CID 114118197
3-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107791834
2-(2-chloroethyl)-5-iodo-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216879
2-(chloromethyl)-3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300713

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine (CID 114159541) is 6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine is FC(F)(F)C1(n2c(CCl)nc3cc(Cl)cnc32)CC1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine?
The InChIKey is VGXBSDCUNDUQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3/c12-4-8-18-7-3-6(13)5-17-9(7)19(8)10(1-2-10)11(14,15)16/h3,5H,1-2,4H2.
What are the key properties of 6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine?
6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine has a molecular weight of 310.11 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 114159541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).