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

C10H10BrNOS — CID 115970006

IUPAC(3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1sccc1Br)N1CC=CCC1
InChIInChI=1S/C10H10BrNOS/c11-8-4-7-14-9(8)10(13)12-5-2-1-3-6-12/h1-2,4,7H,3,5-6H2
InChIKeyIKBUJRVWVMEZKG-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.91
Rot. Bonds1

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

(3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 115970006) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID115970006
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name(3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1sccc1Br)N1CC=CCC1
InChIInChI=1S/C10H10BrNOS/c11-8-4-7-14-9(8)10(13)12-5-2-1-3-6-12/h1-2,4,7H,3,5-6H2
InChIKeyIKBUJRVWVMEZKG-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 130616054
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CID 114407063
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
1-(3-bromothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63804287
(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871811
(3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 55226864
8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone
CID 63801298
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
(3-amino-4-bromo-1-benzothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114889371
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone;hydrochloride
CID 119519075
(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 55211850

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 115970006) is (3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1sccc1Br)N1CC=CCC1.
What is the InChIKey of (3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is IKBUJRVWVMEZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c11-8-4-7-14-9(8)10(13)12-5-2-1-3-6-12/h1-2,4,7H,3,5-6H2.
What are the key properties of (3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 272.17 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 115970006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).