N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine

C12H13BrN2S — CID 105098243

IUPACN-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1csc(Br)c1
InChIInChI=1S/C12H13BrN2S/c1-2-15-12(9-4-3-5-14-7-9)10-6-11(13)16-8-10/h3-8,12,15H,2H2,1H3
InChIKeyDZHLPWBDZNXZRC-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.60
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine

N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 105098243) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
PubChem CID105098243
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC NameN-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1csc(Br)c1
InChIInChI=1S/C12H13BrN2S/c1-2-15-12(9-4-3-5-14-7-9)10-6-11(13)16-8-10/h3-8,12,15H,2H2,1H3
InChIKeyDZHLPWBDZNXZRC-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098256
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43490300
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 43491878
N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine
CID 114054416
N-[(3-chloro-4-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 63087157
N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 106645324
N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43493541

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine (CID 105098243) is N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is DZHLPWBDZNXZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-2-15-12(9-4-3-5-14-7-9)10-6-11(13)16-8-10/h3-8,12,15H,2H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine?
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 297.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 105098243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).