2-bromo-5-fluoropyridin-4-amine

C5H4BrFN2 — CID 817113

IUPAC2-bromo-5-fluoropyridin-4-amine
SMILESNc1cc(Br)ncc1F
InChIInChI=1S/C5H4BrFN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
InChIKeyVSBXRKVNILPDOB-UHFFFAOYSA-N
MW191.00 g/mol
LogP1.57
Rot. Bonds

About 2-bromo-5-fluoropyridin-4-amine

2-bromo-5-fluoropyridin-4-amine (PubChem CID 817113) has the molecular formula C5H4BrFN2 and a molecular weight of 191.00 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridin-4-amine.

Molecular Properties

Compound Name2-bromo-5-fluoropyridin-4-amine
PubChem CID817113
Molecular FormulaC5H4BrFN2
Molecular Weight191.00 g/mol
Exact Mass189.95
IUPAC Name2-bromo-5-fluoropyridin-4-amine
SMILESNc1cc(Br)ncc1F
InChIInChI=1S/C5H4BrFN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
InChIKeyVSBXRKVNILPDOB-UHFFFAOYSA-N
XLogP1.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.00
LogP ≤ 51.57
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 2-bromo-5-fluoropyridin-4-amine?
The IUPAC name of 2-bromo-5-fluoropyridin-4-amine (CID 817113) is 2-bromo-5-fluoropyridin-4-amine.
What is the SMILES notation for 2-bromo-5-fluoropyridin-4-amine?
The canonical SMILES for 2-bromo-5-fluoropyridin-4-amine is Nc1cc(Br)ncc1F.
What is the InChIKey of 2-bromo-5-fluoropyridin-4-amine?
The InChIKey is VSBXRKVNILPDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9).
What are the key properties of 2-bromo-5-fluoropyridin-4-amine?
2-bromo-5-fluoropyridin-4-amine has a molecular weight of 191.00 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoropyridin-4-amine is sourced from PubChem (CID 817113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).