5-(aminomethyl)-2-bromopyridin-4-amine

C6H8BrN3 — CID 130115993

IUPAC5-(aminomethyl)-2-bromopyridin-4-amine
SMILESNCc1cnc(Br)cc1N
InChIInChI=1S/C6H8BrN3/c7-6-1-5(9)4(2-8)3-10-6/h1,3H,2,8H2,(H2,9,10)
InChIKeyAPKYZMYUTFOVBT-UHFFFAOYSA-N
MW202.06 g/mol
LogP0.88
Rot. Bonds1

About 5-(aminomethyl)-2-bromopyridin-4-amine

5-(aminomethyl)-2-bromopyridin-4-amine (PubChem CID 130115993) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromopyridin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromopyridin-4-amine
PubChem CID130115993
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name5-(aminomethyl)-2-bromopyridin-4-amine
SMILESNCc1cnc(Br)cc1N
InChIInChI=1S/C6H8BrN3/c7-6-1-5(9)4(2-8)3-10-6/h1,3H,2,8H2,(H2,9,10)
InChIKeyAPKYZMYUTFOVBT-UHFFFAOYSA-N
XLogP0.88
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-(aminomethyl)-2-bromopyridin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-bromopyridin-4-amine (CID 130115993) is 5-(aminomethyl)-2-bromopyridin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-bromopyridin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-bromopyridin-4-amine is NCc1cnc(Br)cc1N.
What is the InChIKey of 5-(aminomethyl)-2-bromopyridin-4-amine?
The InChIKey is APKYZMYUTFOVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c7-6-1-5(9)4(2-8)3-10-6/h1,3H,2,8H2,(H2,9,10).
What are the key properties of 5-(aminomethyl)-2-bromopyridin-4-amine?
5-(aminomethyl)-2-bromopyridin-4-amine has a molecular weight of 202.06 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromopyridin-4-amine is sourced from PubChem (CID 130115993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).