6-(bromomethyl)-4-chloropyridin-2-amine

C6H6BrClN2 — CID 130705063

IUPAC6-(bromomethyl)-4-chloropyridin-2-amine
SMILESNc1cc(Cl)cc(CBr)n1
InChIInChI=1S/C6H6BrClN2/c7-3-5-1-4(8)2-6(9)10-5/h1-2H,3H2,(H2,9,10)
InChIKeyPPCYSAXTROCQCF-UHFFFAOYSA-N
MW221.48 g/mol
LogP2.21
Rot. Bonds1

About 6-(bromomethyl)-4-chloropyridin-2-amine

6-(bromomethyl)-4-chloropyridin-2-amine (PubChem CID 130705063) has the molecular formula C6H6BrClN2 and a molecular weight of 221.48 g/mol. Its IUPAC name is 6-(bromomethyl)-4-chloropyridin-2-amine.

Molecular Properties

Compound Name6-(bromomethyl)-4-chloropyridin-2-amine
PubChem CID130705063
Molecular FormulaC6H6BrClN2
Molecular Weight221.48 g/mol
Exact Mass219.94
IUPAC Name6-(bromomethyl)-4-chloropyridin-2-amine
SMILESNc1cc(Cl)cc(CBr)n1
InChIInChI=1S/C6H6BrClN2/c7-3-5-1-4(8)2-6(9)10-5/h1-2H,3H2,(H2,9,10)
InChIKeyPPCYSAXTROCQCF-UHFFFAOYSA-N
XLogP2.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-chloropyridin-2-amine?
The IUPAC name of 6-(bromomethyl)-4-chloropyridin-2-amine (CID 130705063) is 6-(bromomethyl)-4-chloropyridin-2-amine.
What is the SMILES notation for 6-(bromomethyl)-4-chloropyridin-2-amine?
The canonical SMILES for 6-(bromomethyl)-4-chloropyridin-2-amine is Nc1cc(Cl)cc(CBr)n1.
What is the InChIKey of 6-(bromomethyl)-4-chloropyridin-2-amine?
The InChIKey is PPCYSAXTROCQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2/c7-3-5-1-4(8)2-6(9)10-5/h1-2H,3H2,(H2,9,10).
What are the key properties of 6-(bromomethyl)-4-chloropyridin-2-amine?
6-(bromomethyl)-4-chloropyridin-2-amine has a molecular weight of 221.48 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-chloropyridin-2-amine is sourced from PubChem (CID 130705063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).