(5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

C10H9BrFNOS — CID 131031274

IUPAC(5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CCC=C(F)C1
InChIInChI=1S/C10H9BrFNOS/c11-9-4-3-8(15-9)10(14)13-5-1-2-7(12)6-13/h2-4H,1,5-6H2
InChIKeyPLKXCQBQZPIHSQ-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.21
Rot. Bonds1

About (5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

(5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 131031274) has the molecular formula C10H9BrFNOS and a molecular weight of 290.16 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID131031274
Molecular FormulaC10H9BrFNOS
Molecular Weight290.16 g/mol
Exact Mass288.96
IUPAC Name(5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CCC=C(F)C1
InChIInChI=1S/C10H9BrFNOS/c11-9-4-3-8(15-9)10(14)13-5-1-2-7(12)6-13/h2-4H,1,5-6H2
InChIKeyPLKXCQBQZPIHSQ-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 131031274) is (5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1ccc(Br)s1)N1CCC=C(F)C1.
What is the InChIKey of (5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is PLKXCQBQZPIHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNOS/c11-9-4-3-8(15-9)10(14)13-5-1-2-7(12)6-13/h2-4H,1,5-6H2.
What are the key properties of (5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
(5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 290.16 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 131031274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).