N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine

C10H9BrN2S — CID 130575723

IUPACN-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine
SMILESBrc1cccnc1CNc1ccsc1
InChIInChI=1S/C10H9BrN2S/c11-9-2-1-4-12-10(9)6-13-8-3-5-14-7-8/h1-5,7,13H,6H2
InChIKeyWYYOWVNGAAIYCF-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.52
Rot. Bonds3

About N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine

N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine (PubChem CID 130575723) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine
PubChem CID130575723
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC NameN-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine
SMILESBrc1cccnc1CNc1ccsc1
InChIInChI=1S/C10H9BrN2S/c11-9-2-1-4-12-10(9)6-13-8-3-5-14-7-8/h1-5,7,13H,6H2
InChIKeyWYYOWVNGAAIYCF-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine (CID 130575723) is N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine is Brc1cccnc1CNc1ccsc1.
What is the InChIKey of N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine?
The InChIKey is WYYOWVNGAAIYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-9-2-1-4-12-10(9)6-13-8-3-5-14-7-8/h1-5,7,13H,6H2.
What are the key properties of N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine?
N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine has a molecular weight of 269.17 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-pyridinyl)methyl]thiophen-3-amine is sourced from PubChem (CID 130575723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).