6-bromopyridin-3-amine

C5H5BrN2 — CID 642811

IUPAC6-bromopyridin-3-amine
SMILESNc1ccc(Br)nc1
InChIInChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
InChIKeyXTHKRYHULUJQHN-UHFFFAOYSA-N
MW173.01 g/mol
LogP1.43
Rot. Bonds

About 6-bromopyridin-3-amine

6-bromopyridin-3-amine (PubChem CID 642811) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is 6-bromopyridin-3-amine.

Molecular Properties

Compound Name6-bromopyridin-3-amine
PubChem CID642811
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC Name6-bromopyridin-3-amine
SMILESNc1ccc(Br)nc1
InChIInChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
InChIKeyXTHKRYHULUJQHN-UHFFFAOYSA-N
XLogP1.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromopyridin-3-amine?
The IUPAC name of 6-bromopyridin-3-amine (CID 642811) is 6-bromopyridin-3-amine.
What is the SMILES notation for 6-bromopyridin-3-amine?
The canonical SMILES for 6-bromopyridin-3-amine is Nc1ccc(Br)nc1.
What is the InChIKey of 6-bromopyridin-3-amine?
The InChIKey is XTHKRYHULUJQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2.
What are the key properties of 6-bromopyridin-3-amine?
6-bromopyridin-3-amine has a molecular weight of 173.01 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridin-3-amine is sourced from PubChem (CID 642811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).