1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine

C14H10F2IN3 — CID 138522563

IUPAC1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2ncc(I)cc2n1Cc1ccc(F)cc1F
InChIInChI=1S/C14H10F2IN3/c1-8-19-14-13(5-11(17)6-18-14)20(8)7-9-2-3-10(15)4-12(9)16/h2-6H,7H2,1H3
InChIKeyFTQBCHHQIBDJTH-UHFFFAOYSA-N
MW385.16 g/mol
LogP3.67
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine

1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine (PubChem CID 138522563) has the molecular formula C14H10F2IN3 and a molecular weight of 385.16 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine
PubChem CID138522563
Molecular FormulaC14H10F2IN3
Molecular Weight385.16 g/mol
Exact Mass384.99
IUPAC Name1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2ncc(I)cc2n1Cc1ccc(F)cc1F
InChIInChI=1S/C14H10F2IN3/c1-8-19-14-13(5-11(17)6-18-14)20(8)7-9-2-3-10(15)4-12(9)16/h2-6H,7H2,1H3
InChIKeyFTQBCHHQIBDJTH-UHFFFAOYSA-N
XLogP3.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine
CID 138522407
1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole
CID 19986378
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522533
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 22387929
[1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol
CID 138522215
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 102879181
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
CID 130254978
2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine
CID 138522291
3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785335
1-[(3,5-difluorophenyl)methyl]-2-methyl-6-pyrrolo[2,1-f][1,2,4]triazin-5-ylimidazo[4,5-b]pyridine
CID 138522262
ethyl 4-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 83231960
1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine
CID 66656029

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine (CID 138522563) is 1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine is Cc1nc2ncc(I)cc2n1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine?
The InChIKey is FTQBCHHQIBDJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2IN3/c1-8-19-14-13(5-11(17)6-18-14)20(8)7-9-2-3-10(15)4-12(9)16/h2-6H,7H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine?
1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine has a molecular weight of 385.16 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 138522563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).