3-bromo-N-thiophen-3-ylpyridin-2-amine

C9H7BrN2S — CID 66353988

IUPAC3-bromo-N-thiophen-3-ylpyridin-2-amine
SMILESBrc1cccnc1Nc1ccsc1
InChIInChI=1S/C9H7BrN2S/c10-8-2-1-4-11-9(8)12-7-3-5-13-6-7/h1-6H,(H,11,12)
InChIKeyHHNJHVIUKWZAJV-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.65
Rot. Bonds2

About 3-bromo-N-thiophen-3-ylpyridin-2-amine

3-bromo-N-thiophen-3-ylpyridin-2-amine (PubChem CID 66353988) has the molecular formula C9H7BrN2S and a molecular weight of 255.14 g/mol. Its IUPAC name is 3-bromo-N-thiophen-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-thiophen-3-ylpyridin-2-amine
PubChem CID66353988
Molecular FormulaC9H7BrN2S
Molecular Weight255.14 g/mol
Exact Mass253.95
IUPAC Name3-bromo-N-thiophen-3-ylpyridin-2-amine
SMILESBrc1cccnc1Nc1ccsc1
InChIInChI=1S/C9H7BrN2S/c10-8-2-1-4-11-9(8)12-7-3-5-13-6-7/h1-6H,(H,11,12)
InChIKeyHHNJHVIUKWZAJV-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-thiophen-3-ylpyridin-2-amine?
The IUPAC name of 3-bromo-N-thiophen-3-ylpyridin-2-amine (CID 66353988) is 3-bromo-N-thiophen-3-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-thiophen-3-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-thiophen-3-ylpyridin-2-amine is Brc1cccnc1Nc1ccsc1.
What is the InChIKey of 3-bromo-N-thiophen-3-ylpyridin-2-amine?
The InChIKey is HHNJHVIUKWZAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S/c10-8-2-1-4-11-9(8)12-7-3-5-13-6-7/h1-6H,(H,11,12).
What are the key properties of 3-bromo-N-thiophen-3-ylpyridin-2-amine?
3-bromo-N-thiophen-3-ylpyridin-2-amine has a molecular weight of 255.14 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-thiophen-3-ylpyridin-2-amine is sourced from PubChem (CID 66353988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).