3-(bromomethyl)-5-fluoropyridin-2-amine

C6H6BrFN2 — CID 133061593

IUPAC3-(bromomethyl)-5-fluoropyridin-2-amine
SMILESNc1ncc(F)cc1CBr
InChIInChI=1S/C6H6BrFN2/c7-2-4-1-5(8)3-10-6(4)9/h1,3H,2H2,(H2,9,10)
InChIKeyVPJMJULSHOOINI-UHFFFAOYSA-N
MW205.03 g/mol
LogP1.70
Rot. Bonds1

About 3-(bromomethyl)-5-fluoropyridin-2-amine

3-(bromomethyl)-5-fluoropyridin-2-amine (PubChem CID 133061593) has the molecular formula C6H6BrFN2 and a molecular weight of 205.03 g/mol. Its IUPAC name is 3-(bromomethyl)-5-fluoropyridin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-5-fluoropyridin-2-amine
PubChem CID133061593
Molecular FormulaC6H6BrFN2
Molecular Weight205.03 g/mol
Exact Mass203.97
IUPAC Name3-(bromomethyl)-5-fluoropyridin-2-amine
SMILESNc1ncc(F)cc1CBr
InChIInChI=1S/C6H6BrFN2/c7-2-4-1-5(8)3-10-6(4)9/h1,3H,2H2,(H2,9,10)
InChIKeyVPJMJULSHOOINI-UHFFFAOYSA-N
XLogP1.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 51.70
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 3-(bromomethyl)-5-fluoropyridin-2-amine?
The IUPAC name of 3-(bromomethyl)-5-fluoropyridin-2-amine (CID 133061593) is 3-(bromomethyl)-5-fluoropyridin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-5-fluoropyridin-2-amine?
The canonical SMILES for 3-(bromomethyl)-5-fluoropyridin-2-amine is Nc1ncc(F)cc1CBr.
What is the InChIKey of 3-(bromomethyl)-5-fluoropyridin-2-amine?
The InChIKey is VPJMJULSHOOINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2/c7-2-4-1-5(8)3-10-6(4)9/h1,3H,2H2,(H2,9,10).
What are the key properties of 3-(bromomethyl)-5-fluoropyridin-2-amine?
3-(bromomethyl)-5-fluoropyridin-2-amine has a molecular weight of 205.03 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-fluoropyridin-2-amine is sourced from PubChem (CID 133061593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).