2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine

C17H13F2NS — CID 58242564

IUPAC2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine
SMILESCc1ccc(F)c(Cc2ccc(-c3cccc(F)n3)s2)c1
InChIInChI=1S/C17H13F2NS/c1-11-5-7-14(18)12(9-11)10-13-6-8-16(21-13)15-3-2-4-17(19)20-15/h2-9H,10H2,1H3
InChIKeyVNCROHCEVPYEIZ-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.99
Rot. Bonds3

About 2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine

2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine (PubChem CID 58242564) has the molecular formula C17H13F2NS and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine
PubChem CID58242564
Molecular FormulaC17H13F2NS
Molecular Weight301.36 g/mol
Exact Mass301.07
IUPAC Name2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine
SMILESCc1ccc(F)c(Cc2ccc(-c3cccc(F)n3)s2)c1
InChIInChI=1S/C17H13F2NS/c1-11-5-7-14(18)12(9-11)10-13-6-8-16(21-13)15-3-2-4-17(19)20-15/h2-9H,10H2,1H3
InChIKeyVNCROHCEVPYEIZ-UHFFFAOYSA-N
XLogP4.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine?
The IUPAC name of 2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine (CID 58242564) is 2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine is Cc1ccc(F)c(Cc2ccc(-c3cccc(F)n3)s2)c1.
What is the InChIKey of 2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine?
The InChIKey is VNCROHCEVPYEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NS/c1-11-5-7-14(18)12(9-11)10-13-6-8-16(21-13)15-3-2-4-17(19)20-15/h2-9H,10H2,1H3.
What are the key properties of 2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine?
2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine has a molecular weight of 301.36 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[5-[(2-fluoro-5-methylphenyl)methyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 58242564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).