2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine

C12H13ClF3N3O — CID 79293674

IUPAC2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2CCOCC(F)(F)F
InChIInChI=1S/C12H13ClF3N3O/c1-8-2-3-17-11-10(8)18-9(6-13)19(11)4-5-20-7-12(14,15)16/h2-3H,4-7H2,1H3
InChIKeyRYKSTCBLOQKYMN-UHFFFAOYSA-N
MW307.70 g/mol
LogP3.06
Rot. Bonds5

About 2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine (PubChem CID 79293674) has the molecular formula C12H13ClF3N3O and a molecular weight of 307.70 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine
PubChem CID79293674
Molecular FormulaC12H13ClF3N3O
Molecular Weight307.70 g/mol
Exact Mass307.07
IUPAC Name2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2CCOCC(F)(F)F
InChIInChI=1S/C12H13ClF3N3O/c1-8-2-3-17-11-10(8)18-9(6-13)19(11)4-5-20-7-12(14,15)16/h2-3H,4-7H2,1H3
InChIKeyRYKSTCBLOQKYMN-UHFFFAOYSA-N
XLogP3.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 114943375
ethyl 3-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79293015
2-(2-chloroethyl)-7-methyl-3-(5,5,5-trifluoropentyl)imidazo[4,5-b]pyridine
CID 115521123
2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 114516342
2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 79293205
2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79293507
2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79279788
2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79293455
3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 81177532
2-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
CID 114180809
2-(chloromethyl)-7-methyl-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79293199

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine (CID 79293674) is 2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2CCOCC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is RYKSTCBLOQKYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O/c1-8-2-3-17-11-10(8)18-9(6-13)19(11)4-5-20-7-12(14,15)16/h2-3H,4-7H2,1H3.
What are the key properties of 2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 307.70 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79293674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).