N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine

C11H11BrN2S — CID 28833082

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESBrc1csc(CNCc2ccncc2)c1
InChIInChI=1S/C11H11BrN2S/c12-10-5-11(15-8-10)7-14-6-9-1-3-13-4-2-9/h1-5,8,14H,6-7H2
InChIKeyJUBSKNJKLIJMQS-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.20
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine

N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 28833082) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID28833082
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESBrc1csc(CNCc2ccncc2)c1
InChIInChI=1S/C11H11BrN2S/c12-10-5-11(15-8-10)7-14-6-9-1-3-13-4-2-9/h1-5,8,14H,6-7H2
InChIKeyJUBSKNJKLIJMQS-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine (CID 28833082) is N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine is Brc1csc(CNCc2ccncc2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is JUBSKNJKLIJMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c12-10-5-11(15-8-10)7-14-6-9-1-3-13-4-2-9/h1-5,8,14H,6-7H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 283.19 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 28833082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).