1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one

C11H10BrNOS — CID 62961960

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2ccc(Br)s2)c(=O)c1
InChIInChI=1S/C11H10BrNOS/c1-8-4-5-13(11(14)6-8)7-9-2-3-10(12)15-9/h2-6H,7H2,1H3
InChIKeyJGTCLSINTRUVLW-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.03
Rot. Bonds2

About 1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one

1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one (PubChem CID 62961960) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one
PubChem CID62961960
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2ccc(Br)s2)c(=O)c1
InChIInChI=1S/C11H10BrNOS/c1-8-4-5-13(11(14)6-8)7-9-2-3-10(12)15-9/h2-6H,7H2,1H3
InChIKeyJGTCLSINTRUVLW-UHFFFAOYSA-N
XLogP3.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one (CID 62961960) is 1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one is Cc1ccn(Cc2ccc(Br)s2)c(=O)c1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one?
The InChIKey is JGTCLSINTRUVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c1-8-4-5-13(11(14)6-8)7-9-2-3-10(12)15-9/h2-6H,7H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one?
1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one has a molecular weight of 284.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 62961960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).