2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine

C21H15F2NS — CID 58242604

IUPAC2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine
SMILESCc1cc(Cc2ccc(-c3cccc(F)n3)s2)c(F)c2ccccc12
InChIInChI=1S/C21H15F2NS/c1-13-11-14(21(23)17-6-3-2-5-16(13)17)12-15-9-10-19(25-15)18-7-4-8-20(22)24-18/h2-11H,12H2,1H3
InChIKeyIREXHNDPGBRRPJ-UHFFFAOYSA-N
MW351.42 g/mol
LogP6.14
Rot. Bonds3

About 2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine

2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine (PubChem CID 58242604) has the molecular formula C21H15F2NS and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine
PubChem CID58242604
Molecular FormulaC21H15F2NS
Molecular Weight351.42 g/mol
Exact Mass351.09
IUPAC Name2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine
SMILESCc1cc(Cc2ccc(-c3cccc(F)n3)s2)c(F)c2ccccc12
InChIInChI=1S/C21H15F2NS/c1-13-11-14(21(23)17-6-3-2-5-16(13)17)12-15-9-10-19(25-15)18-7-4-8-20(22)24-18/h2-11H,12H2,1H3
InChIKeyIREXHNDPGBRRPJ-UHFFFAOYSA-N
XLogP6.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.42
LogP ≤ 56.14
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-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine?
The IUPAC name of 2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine (CID 58242604) is 2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine is Cc1cc(Cc2ccc(-c3cccc(F)n3)s2)c(F)c2ccccc12.
What is the InChIKey of 2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine?
The InChIKey is IREXHNDPGBRRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NS/c1-13-11-14(21(23)17-6-3-2-5-16(13)17)12-15-9-10-19(25-15)18-7-4-8-20(22)24-18/h2-11H,12H2,1H3.
What are the key properties of 2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine?
2-fluoro-6-[5-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine has a molecular weight of 351.42 g/mol, XLogP of 6.14, 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-[(1-fluoro-4-methylnaphthalen-2-yl)methyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 58242604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).