3-bromo-5-fluoropyridin-4-amine

C5H4BrFN2 — CID 53485488

IUPAC3-bromo-5-fluoropyridin-4-amine
SMILESNc1c(F)cncc1Br
InChIInChI=1S/C5H4BrFN2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
InChIKeyAANCKJPIOOGVPS-UHFFFAOYSA-N
MW191.00 g/mol
LogP1.57
Rot. Bonds

About 3-bromo-5-fluoropyridin-4-amine

3-bromo-5-fluoropyridin-4-amine (PubChem CID 53485488) has the molecular formula C5H4BrFN2 and a molecular weight of 191.00 g/mol. Its IUPAC name is 3-bromo-5-fluoropyridin-4-amine.

Molecular Properties

Compound Name3-bromo-5-fluoropyridin-4-amine
PubChem CID53485488
Molecular FormulaC5H4BrFN2
Molecular Weight191.00 g/mol
Exact Mass189.95
IUPAC Name3-bromo-5-fluoropyridin-4-amine
SMILESNc1c(F)cncc1Br
InChIInChI=1S/C5H4BrFN2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
InChIKeyAANCKJPIOOGVPS-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoropyridin-4-amine?
The IUPAC name of 3-bromo-5-fluoropyridin-4-amine (CID 53485488) is 3-bromo-5-fluoropyridin-4-amine.
What is the SMILES notation for 3-bromo-5-fluoropyridin-4-amine?
The canonical SMILES for 3-bromo-5-fluoropyridin-4-amine is Nc1c(F)cncc1Br.
What is the InChIKey of 3-bromo-5-fluoropyridin-4-amine?
The InChIKey is AANCKJPIOOGVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9).
What are the key properties of 3-bromo-5-fluoropyridin-4-amine?
3-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 3-bromo-5-fluoropyridin-4-amine is sourced from PubChem (CID 53485488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).