5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine

C7H5IN2O — CID 143140764

IUPAC5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cc2ncoc2nc1I
InChIInChI=1S/C7H5IN2O/c1-4-2-5-7(10-6(4)8)11-3-9-5/h2-3H,1H3
InChIKeyYLLAARIJJGMVSS-UHFFFAOYSA-N
MW260.03 g/mol
LogP2.14
Rot. Bonds

About 5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine

5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 143140764) has the molecular formula C7H5IN2O and a molecular weight of 260.03 g/mol. Its IUPAC name is 5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID143140764
Molecular FormulaC7H5IN2O
Molecular Weight260.03 g/mol
Exact Mass259.94
IUPAC Name5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cc2ncoc2nc1I
InChIInChI=1S/C7H5IN2O/c1-4-2-5-7(10-6(4)8)11-3-9-5/h2-3H,1H3
InChIKeyYLLAARIJJGMVSS-UHFFFAOYSA-N
XLogP2.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.03
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-6-methyl-[1,2]oxazolo[4,5-b]pyridine
CID 134514187
6-chloro-[1,3]oxazolo[5,4-b]pyridine
CID 55252688
[1,3]oxazolo[5,4-b]pyridin-6-ol
CID 146568826
[1,3]oxazolo[5,4-d][1,3]oxazole
CID 59600546
7-methyl-[1,3]oxazolo[4,5-c]pyridine
CID 58957220
[1,3]oxazolo[5,4-c][1,2]oxazole
CID 122672156
ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine
CID 171095472
2-([1,3]oxazolo[5,4-b]pyridin-6-yl)ethanamine
CID 84651562
3-(difluoromethyl)-2-fluoro-6-iodo-5-methylpyridine
CID 130079901
(1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine
CID 124503157
hydrazine;6-methyl-1,3-benzoxazole
CID 174445357
7-chloro-6-methyl-1,3-benzoxazole
CID 161041002

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine (CID 143140764) is 5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine is Cc1cc2ncoc2nc1I.
What is the InChIKey of 5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is YLLAARIJJGMVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O/c1-4-2-5-7(10-6(4)8)11-3-9-5/h2-3H,1H3.
What are the key properties of 5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 260.03 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 143140764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).