2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine

C16H12FN2OS+ — CID 153464688

IUPAC2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(F)ccc32)c1-c1scc[n+]1C
InChIInChI=1S/C16H12FN2OS/c1-9-3-4-10-11-5-6-12(17)18-15(11)20-14(10)13(9)16-19(2)7-8-21-16/h3-8H,1-2H3/q+1
InChIKeyFOMRRLSFYJVHFB-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.98
Rot. Bonds1

About 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine

2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 153464688) has the molecular formula C16H12FN2OS+ and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID153464688
Molecular FormulaC16H12FN2OS+
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(F)ccc32)c1-c1scc[n+]1C
InChIInChI=1S/C16H12FN2OS/c1-9-3-4-10-11-5-6-12(17)18-15(11)20-14(10)13(9)16-19(2)7-8-21-16/h3-8H,1-2H3/q+1
InChIKeyFOMRRLSFYJVHFB-UHFFFAOYSA-N
XLogP3.98
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-Fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 123627897
N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide
CID 138738494
5-Fluoro-7-methyl-6-(2-methyl-1,3-thiazol-4-yl)-[1]benzofuro[2,3-b]pyridine-8-carbonitrile
CID 140086843
8-(1,5-Dimethyl-4-phenylpyridin-1-ium-2-yl)-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 147869455
2,4-Difluoro-7-methyl-8-(1-methyl-5-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 148195274
8-[1,5-Dimethyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 148409616
2,5-Difluoro-7-methyl-8-(1-methyl-5-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 148750428
2-(7-Fluoro-2-methyldibenzofuran-3-yl)-3-methyl-1,3-thiazol-3-ium
CID 148770758
2-(7-Fluoro-3-methyldibenzofuran-2-yl)-3-methyl-1,3-thiazol-3-ium
CID 148986663
2-Fluoro-4,7-dimethyl-8-(1-methyl-5-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 149293212
2-(7-Fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium
CID 149392490
2-Fluoro-3,7-dimethyl-8-(1-methyl-5-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 149422984

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 153464688) is 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3nc(F)ccc32)c1-c1scc[n+]1C.
What is the InChIKey of 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is FOMRRLSFYJVHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN2OS/c1-9-3-4-10-11-5-6-12(17)18-15(11)20-14(10)13(9)16-19(2)7-8-21-16/h3-8H,1-2H3/q+1.
What are the key properties of 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?
2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 299.35 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 153464688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).