4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde

C9H6BrN3OS — CID 175609051

IUPAC4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde
SMILESNc1cc(-c2nccs2)nc(Br)c1C=O
InChIInChI=1S/C9H6BrN3OS/c10-8-5(4-14)6(11)3-7(13-8)9-12-1-2-15-9/h1-4H,(H2,11,13)
InChIKeyVFFWBTBTPBJCGN-UHFFFAOYSA-N
MW284.14 g/mol
LogP2.36
Rot. Bonds2

About 4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde

4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde (PubChem CID 175609051) has the molecular formula C9H6BrN3OS and a molecular weight of 284.14 g/mol. Its IUPAC name is 4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde
PubChem CID175609051
Molecular FormulaC9H6BrN3OS
Molecular Weight284.14 g/mol
Exact Mass282.94
IUPAC Name4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde
SMILESNc1cc(-c2nccs2)nc(Br)c1C=O
InChIInChI=1S/C9H6BrN3OS/c10-8-5(4-14)6(11)3-7(13-8)9-12-1-2-15-9/h1-4H,(H2,11,13)
InChIKeyVFFWBTBTPBJCGN-UHFFFAOYSA-N
XLogP2.36
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde?
The IUPAC name of 4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde (CID 175609051) is 4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde is Nc1cc(-c2nccs2)nc(Br)c1C=O.
What is the InChIKey of 4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde?
The InChIKey is VFFWBTBTPBJCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3OS/c10-8-5(4-14)6(11)3-7(13-8)9-12-1-2-15-9/h1-4H,(H2,11,13).
What are the key properties of 4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde?
4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde has a molecular weight of 284.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 175609051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).