2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine

C12H7ClFIN4 — CID 138522291

IUPAC2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine
SMILESFc1cccc(Cn2c(Cl)nc3ncc(I)cc32)n1
InChIInChI=1S/C12H7ClFIN4/c13-12-18-11-9(4-7(15)5-16-11)19(12)6-8-2-1-3-10(14)17-8/h1-5H,6H2
InChIKeyNVEBKXYTRBVUOX-UHFFFAOYSA-N
MW388.57 g/mol
LogP3.27
Rot. Bonds2

About 2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine

2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine (PubChem CID 138522291) has the molecular formula C12H7ClFIN4 and a molecular weight of 388.57 g/mol. Its IUPAC name is 2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine
PubChem CID138522291
Molecular FormulaC12H7ClFIN4
Molecular Weight388.57 g/mol
Exact Mass387.94
IUPAC Name2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine
SMILESFc1cccc(Cn2c(Cl)nc3ncc(I)cc32)n1
InChIInChI=1S/C12H7ClFIN4/c13-12-18-11-9(4-7(15)5-16-11)19(12)6-8-2-1-3-10(14)17-8/h1-5H,6H2
InChIKeyNVEBKXYTRBVUOX-UHFFFAOYSA-N
XLogP3.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine?
The IUPAC name of 2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine (CID 138522291) is 2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine?
The canonical SMILES for 2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine is Fc1cccc(Cn2c(Cl)nc3ncc(I)cc32)n1.
What is the InChIKey of 2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine?
The InChIKey is NVEBKXYTRBVUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFIN4/c13-12-18-11-9(4-7(15)5-16-11)19(12)6-8-2-1-3-10(14)17-8/h1-5H,6H2.
What are the key properties of 2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine?
2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine has a molecular weight of 388.57 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine is sourced from PubChem (CID 138522291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).