4-bromopyridin-3-amine

C5H5BrN2 — CID 2762938

IUPAC4-bromopyridin-3-amine
SMILESNc1cnccc1Br
InChIInChI=1S/C5H5BrN2/c6-4-1-2-8-3-5(4)7/h1-3H,7H2
InChIKeyLKQGBXRGSPSTES-UHFFFAOYSA-N
MW173.01 g/mol
LogP1.43
Rot. Bonds

About 4-bromopyridin-3-amine

4-bromopyridin-3-amine (PubChem CID 2762938) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is 4-bromopyridin-3-amine.

Molecular Properties

Compound Name4-bromopyridin-3-amine
PubChem CID2762938
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC Name4-bromopyridin-3-amine
SMILESNc1cnccc1Br
InChIInChI=1S/C5H5BrN2/c6-4-1-2-8-3-5(4)7/h1-3H,7H2
InChIKeyLKQGBXRGSPSTES-UHFFFAOYSA-N
XLogP1.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromopyridin-3-amine?
The IUPAC name of 4-bromopyridin-3-amine (CID 2762938) is 4-bromopyridin-3-amine.
What is the SMILES notation for 4-bromopyridin-3-amine?
The canonical SMILES for 4-bromopyridin-3-amine is Nc1cnccc1Br.
What is the InChIKey of 4-bromopyridin-3-amine?
The InChIKey is LKQGBXRGSPSTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2/c6-4-1-2-8-3-5(4)7/h1-3H,7H2.
What are the key properties of 4-bromopyridin-3-amine?
4-bromopyridin-3-amine has a molecular weight of 173.01 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridin-3-amine is sourced from PubChem (CID 2762938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).