(5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone

C10H11BrNOS+ — CID 123969336

IUPAC(5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone
SMILESO=C(c1csc(Br)c1)N1C[CH+]CCC1
InChIInChI=1S/C10H11BrNOS/c11-9-6-8(7-14-9)10(13)12-4-2-1-3-5-12/h2,6-7H,1,3-5H2/q+1
InChIKeySPOZDARZJWTDDK-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.95
Rot. Bonds1

About (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone

(5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone (PubChem CID 123969336) has the molecular formula C10H11BrNOS+ and a molecular weight of 273.17 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone
PubChem CID123969336
Molecular FormulaC10H11BrNOS+
Molecular Weight273.17 g/mol
Exact Mass271.97
IUPAC Name(5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone
SMILESO=C(c1csc(Br)c1)N1C[CH+]CCC1
InChIInChI=1S/C10H11BrNOS/c11-9-6-8(7-14-9)10(13)12-4-2-1-3-5-12/h2,6-7H,1,3-5H2/q+1
InChIKeySPOZDARZJWTDDK-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone with MolForge

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Related Compounds

4-(5-Bromothiophene-3-carbonyl)morpholine
CID 40012384
5-Bromo-N-(2-(dimethylamino)-2-oxoethyl)-N-methylthiophene-3-carboxamide
CID 43424492
N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide
CID 43612157
(2-Propan-2-ylthiomorpholin-4-yl)-thiophen-3-ylmethanone
CID 72118345
5-bromo-N-propylthiophene-3-carboxamide
CID 40012378
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromothiophene-3-carboxamide
CID 45809435
1-[(5-Bromothiophen-3-yl)methyl]piperidine-4-carboxamide
CID 45826289
Thiophen-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45863283
5-bromo-N-(cyclopentylmethyl)thiophene-3-carboxamide
CID 39210190
thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929050
thiophen-3-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929051
5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 54878193

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone (CID 123969336) is (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone is O=C(c1csc(Br)c1)N1C[CH+]CCC1.
What is the InChIKey of (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone?
The InChIKey is SPOZDARZJWTDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrNOS/c11-9-6-8(7-14-9)10(13)12-4-2-1-3-5-12/h2,6-7H,1,3-5H2/q+1.
What are the key properties of (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone?
(5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone has a molecular weight of 273.17 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)methanone is sourced from PubChem (CID 123969336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).