(5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone

C11H8FNOS — CID 79992482

IUPAC(5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1ccc(F)cn1
InChIInChI=1S/C11H8FNOS/c1-7-4-5-15-11(7)10(14)9-3-2-8(12)6-13-9/h2-6H,1H3
InChIKeyPFYRNWSCUUZNKU-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.82
Rot. Bonds2

About (5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone

(5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone (PubChem CID 79992482) has the molecular formula C11H8FNOS and a molecular weight of 221.26 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone
PubChem CID79992482
Molecular FormulaC11H8FNOS
Molecular Weight221.26 g/mol
Exact Mass221.03
IUPAC Name(5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1ccc(F)cn1
InChIInChI=1S/C11H8FNOS/c1-7-4-5-15-11(7)10(14)9-3-2-8(12)6-13-9/h2-6H,1H3
InChIKeyPFYRNWSCUUZNKU-UHFFFAOYSA-N
XLogP2.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone (CID 79992482) is (5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)c1ccc(F)cn1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is PFYRNWSCUUZNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS/c1-7-4-5-15-11(7)10(14)9-3-2-8(12)6-13-9/h2-6H,1H3.
What are the key properties of (5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone?
(5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79992482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).