N-bromopyridin-3-amine

C5H5BrN2 — CID 87128938

IUPACN-bromopyridin-3-amine
SMILESBrNc1cccnc1
InChIInChI=1S/C5H5BrN2/c6-8-5-2-1-3-7-4-5/h1-4,8H
InChIKeyBUMCSIVWLOIKJT-UHFFFAOYSA-N
MW173.01 g/mol
LogP1.80
Rot. Bonds1

About N-bromopyridin-3-amine

N-bromopyridin-3-amine (PubChem CID 87128938) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is N-bromopyridin-3-amine.

Molecular Properties

Compound NameN-bromopyridin-3-amine
PubChem CID87128938
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC NameN-bromopyridin-3-amine
SMILESBrNc1cccnc1
InChIInChI=1S/C5H5BrN2/c6-8-5-2-1-3-7-4-5/h1-4,8H
InChIKeyBUMCSIVWLOIKJT-UHFFFAOYSA-N
XLogP1.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-pyridin-3-ylhydrazine
CID 142776017
(pyridin-3-ylamino)mercury(1+)
CID 16685218
N-fluoropyridin-3-amine
CID 141274626
ethane;N-methylpyridin-3-amine
CID 91430147
azane;N-methylpyridin-3-amine
CID 70247108
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
N-methylsulfanylpyridin-3-amine
CID 126541026
N-pyridin-3-ylmethanethioamide
CID 22299133
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
pyridin-3-ylcyanamide
CID 12652072
N-cyclopropylpyridin-3-amine
CID 11297993
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847

Frequently Asked Questions

What is the IUPAC name of N-bromopyridin-3-amine?
The IUPAC name of N-bromopyridin-3-amine (CID 87128938) is N-bromopyridin-3-amine.
What is the SMILES notation for N-bromopyridin-3-amine?
The canonical SMILES for N-bromopyridin-3-amine is BrNc1cccnc1.
What is the InChIKey of N-bromopyridin-3-amine?
The InChIKey is BUMCSIVWLOIKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2/c6-8-5-2-1-3-7-4-5/h1-4,8H.
What are the key properties of N-bromopyridin-3-amine?
N-bromopyridin-3-amine has a molecular weight of 173.01 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromopyridin-3-amine is sourced from PubChem (CID 87128938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).