[1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol

C14H11FIN3O — CID 138522215

IUPAC[1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol
SMILESOCc1nc2ncc(I)cc2n1Cc1cccc(F)c1
InChIInChI=1S/C14H11FIN3O/c15-10-3-1-2-9(4-10)7-19-12-5-11(16)6-17-14(12)18-13(19)8-20/h1-6,20H,7-8H2
InChIKeyYTESZPCQPOXCIS-UHFFFAOYSA-N
MW383.16 g/mol
LogP2.72
Rot. Bonds3

About [1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol

[1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol (PubChem CID 138522215) has the molecular formula C14H11FIN3O and a molecular weight of 383.16 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol
PubChem CID138522215
Molecular FormulaC14H11FIN3O
Molecular Weight383.16 g/mol
Exact Mass382.99
IUPAC Name[1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol
SMILESOCc1nc2ncc(I)cc2n1Cc1cccc(F)c1
InChIInChI=1S/C14H11FIN3O/c15-10-3-1-2-9(4-10)7-19-12-5-11(16)6-17-14(12)18-13(19)8-20/h1-6,20H,7-8H2
InChIKeyYTESZPCQPOXCIS-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol
CID 62594326
[1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methanol
CID 82334557
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522533
1-[(3,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine
CID 138522407
[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanethiol
CID 82333392
1-[(3-fluorophenyl)methyl]-5-iodoindole-2-carboxylic acid
CID 66850442
3-[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]propan-1-ol
CID 82333195
2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole
CID 66100212
2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115509080
2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine
CID 138522291
1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
CID 79784814
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol?
The IUPAC name of [1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol (CID 138522215) is [1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol is OCc1nc2ncc(I)cc2n1Cc1cccc(F)c1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol?
The InChIKey is YTESZPCQPOXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FIN3O/c15-10-3-1-2-9(4-10)7-19-12-5-11(16)6-17-14(12)18-13(19)8-20/h1-6,20H,7-8H2.
What are the key properties of [1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol?
[1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol has a molecular weight of 383.16 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]-6-iodoimidazo[4,5-b]pyridin-2-yl]methanol is sourced from PubChem (CID 138522215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).