1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone

C12H9F2NOS — CID 166320249

IUPAC1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(F)F)s2)nc1
InChIInChI=1S/C12H9F2NOS/c1-7(16)8-2-3-9(15-6-8)10-4-5-11(17-10)12(13)14/h2-6,12H,1H3
InChIKeyCRCVBUSQWUJRQF-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.95
Rot. Bonds3

About 1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone

1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone (PubChem CID 166320249) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone
PubChem CID166320249
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC Name1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(F)F)s2)nc1
InChIInChI=1S/C12H9F2NOS/c1-7(16)8-2-3-9(15-6-8)10-4-5-11(17-10)12(13)14/h2-6,12H,1H3
InChIKeyCRCVBUSQWUJRQF-UHFFFAOYSA-N
XLogP3.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone (CID 166320249) is 1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2ccc(C(F)F)s2)nc1.
What is the InChIKey of 1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone?
The InChIKey is CRCVBUSQWUJRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c1-7(16)8-2-3-9(15-6-8)10-4-5-11(17-10)12(13)14/h2-6,12H,1H3.
What are the key properties of 1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone?
1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone has a molecular weight of 253.27 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 166320249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).