3-bromo-5-chloro-2H-pyridin-3-amine

C5H6BrClN2 — CID 172843988

IUPAC3-bromo-5-chloro-2H-pyridin-3-amine
SMILESNC1(Br)C=C(Cl)C=NC1
InChIInChI=1S/C5H6BrClN2/c6-5(8)1-4(7)2-9-3-5/h1-2H,3,8H2
InChIKeyXEAUSSMVRITPIS-UHFFFAOYSA-N
MW209.47 g/mol
LogP1.24
Rot. Bonds

About 3-bromo-5-chloro-2H-pyridin-3-amine

3-bromo-5-chloro-2H-pyridin-3-amine (PubChem CID 172843988) has the molecular formula C5H6BrClN2 and a molecular weight of 209.47 g/mol. Its IUPAC name is 3-bromo-5-chloro-2H-pyridin-3-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-2H-pyridin-3-amine
PubChem CID172843988
Molecular FormulaC5H6BrClN2
Molecular Weight209.47 g/mol
Exact Mass207.94
IUPAC Name3-bromo-5-chloro-2H-pyridin-3-amine
SMILESNC1(Br)C=C(Cl)C=NC1
InChIInChI=1S/C5H6BrClN2/c6-5(8)1-4(7)2-9-3-5/h1-2H,3,8H2
InChIKeyXEAUSSMVRITPIS-UHFFFAOYSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-5-chloro-2H-pyridin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dichloro-2H-pyridin-3-amine
CID 170843138
5-chloro-3-iodo-2H-pyridin-3-amine
CID 71059900
3-Bromo-5-chloro-2,3-dihydropyridin-2-amine
CID 91591096
3-chloro-2H-pyridin-3-amine
CID 150182744
5-Bromo-2-chloro-2,3-dihydropyridin-3-amine
CID 163421132
2-Bromo-5-chloro-2,3-dihydropyridin-3-amine
CID 163770664
5-Bromo-2,3-dihydropyridine-2,3-diamine
CID 172542091

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2H-pyridin-3-amine?
The IUPAC name of 3-bromo-5-chloro-2H-pyridin-3-amine (CID 172843988) is 3-bromo-5-chloro-2H-pyridin-3-amine.
What is the SMILES notation for 3-bromo-5-chloro-2H-pyridin-3-amine?
The canonical SMILES for 3-bromo-5-chloro-2H-pyridin-3-amine is NC1(Br)C=C(Cl)C=NC1.
What is the InChIKey of 3-bromo-5-chloro-2H-pyridin-3-amine?
The InChIKey is XEAUSSMVRITPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrClN2/c6-5(8)1-4(7)2-9-3-5/h1-2H,3,8H2.
What are the key properties of 3-bromo-5-chloro-2H-pyridin-3-amine?
3-bromo-5-chloro-2H-pyridin-3-amine has a molecular weight of 209.47 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2H-pyridin-3-amine is sourced from PubChem (CID 172843988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).