3-bromopyridin-4-amine

C5H5BrN2 — CID 26095

IUPAC3-bromopyridin-4-amine
SMILESNc1ccncc1Br
InChIInChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKeyDDQYSZWFFXOXER-UHFFFAOYSA-N
MW173.01 g/mol
LogP1.43
Rot. Bonds

About 3-bromopyridin-4-amine

3-bromopyridin-4-amine (PubChem CID 26095) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is 3-bromopyridin-4-amine.

Molecular Properties

Compound Name3-bromopyridin-4-amine
PubChem CID26095
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC Name3-bromopyridin-4-amine
SMILESNc1ccncc1Br
InChIInChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKeyDDQYSZWFFXOXER-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 3-bromopyridin-4-amine?
The IUPAC name of 3-bromopyridin-4-amine (CID 26095) is 3-bromopyridin-4-amine.
What is the SMILES notation for 3-bromopyridin-4-amine?
The canonical SMILES for 3-bromopyridin-4-amine is Nc1ccncc1Br.
What is the InChIKey of 3-bromopyridin-4-amine?
The InChIKey is DDQYSZWFFXOXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8).
What are the key properties of 3-bromopyridin-4-amine?
3-bromopyridin-4-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 3-bromopyridin-4-amine is sourced from PubChem (CID 26095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).