2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine

C13H7ClF3IN4 — CID 90271643

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(-c2ncc(C(F)(F)F)cc2Cl)nc2cc(I)cnc21
InChIInChI=1S/C13H7ClF3IN4/c1-22-11-9(3-7(18)5-20-11)21-12(22)10-8(14)2-6(4-19-10)13(15,16)17/h2-5H,1H3
InChIKeyQUAPVINONOICKI-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.31
Rot. Bonds1

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine (PubChem CID 90271643) has the molecular formula C13H7ClF3IN4 and a molecular weight of 438.58 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine
PubChem CID90271643
Molecular FormulaC13H7ClF3IN4
Molecular Weight438.58 g/mol
Exact Mass437.94
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(-c2ncc(C(F)(F)F)cc2Cl)nc2cc(I)cnc21
InChIInChI=1S/C13H7ClF3IN4/c1-22-11-9(3-7(18)5-20-11)21-12(22)10-8(14)2-6(4-19-10)13(15,16)17/h2-5H,1H3
InChIKeyQUAPVINONOICKI-UHFFFAOYSA-N
XLogP4.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine
CID 163462664
2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine
CID 90271670
6-(1,1-difluoroethyl)-3-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine
CID 118581459
2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile
CID 171789668
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
5-chloro-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 118581452
3-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
CID 90324102
2-(5-chloro-3-ethylsulfonyl-2-pyridinyl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine
CID 118581455
2-(5-ethyl-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 162488587
2-[3-ethylsulfonyl-5-(trimethoxymethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118570981
2-(2-fluorophenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67981840

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine (CID 90271643) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine is Cn1c(-c2ncc(C(F)(F)F)cc2Cl)nc2cc(I)cnc21.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine?
The InChIKey is QUAPVINONOICKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3IN4/c1-22-11-9(3-7(18)5-20-11)21-12(22)10-8(14)2-6(4-19-10)13(15,16)17/h2-5H,1H3.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine has a molecular weight of 438.58 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 90271643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).