3-bromo-4-fluoropyridin-2-amine

C5H4BrFN2 — CID 71627068

IUPAC3-bromo-4-fluoropyridin-2-amine
SMILESNc1nccc(F)c1Br
InChIInChI=1S/C5H4BrFN2/c6-4-3(7)1-2-9-5(4)8/h1-2H,(H2,8,9)
InChIKeyDYQZJWKZFRTCET-UHFFFAOYSA-N
MW191.00 g/mol
LogP1.57
Rot. Bonds

About 3-bromo-4-fluoropyridin-2-amine

3-bromo-4-fluoropyridin-2-amine (PubChem CID 71627068) has the molecular formula C5H4BrFN2 and a molecular weight of 191.00 g/mol. Its IUPAC name is 3-bromo-4-fluoropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-fluoropyridin-2-amine
PubChem CID71627068
Molecular FormulaC5H4BrFN2
Molecular Weight191.00 g/mol
Exact Mass189.95
IUPAC Name3-bromo-4-fluoropyridin-2-amine
SMILESNc1nccc(F)c1Br
InChIInChI=1S/C5H4BrFN2/c6-4-3(7)1-2-9-5(4)8/h1-2H,(H2,8,9)
InChIKeyDYQZJWKZFRTCET-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

Analyze 3-bromo-4-fluoropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoropyridin-2-amine?
The IUPAC name of 3-bromo-4-fluoropyridin-2-amine (CID 71627068) is 3-bromo-4-fluoropyridin-2-amine.
What is the SMILES notation for 3-bromo-4-fluoropyridin-2-amine?
The canonical SMILES for 3-bromo-4-fluoropyridin-2-amine is Nc1nccc(F)c1Br.
What is the InChIKey of 3-bromo-4-fluoropyridin-2-amine?
The InChIKey is DYQZJWKZFRTCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2/c6-4-3(7)1-2-9-5(4)8/h1-2H,(H2,8,9).
What are the key properties of 3-bromo-4-fluoropyridin-2-amine?
3-bromo-4-fluoropyridin-2-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 3-bromo-4-fluoropyridin-2-amine is sourced from PubChem (CID 71627068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).