5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine

C11H8Br2ClN3 — CID 114052008

IUPAC5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine
SMILESClc1ncc(Br)cc1NCc1cncc(Br)c1
InChIInChI=1S/C11H8Br2ClN3/c12-8-1-7(3-15-5-8)4-16-10-2-9(13)6-17-11(10)14/h1-3,5-6,16H,4H2
InChIKeyFINFCUNNLGEBHV-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.27
Rot. Bonds3

About 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine

5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine (PubChem CID 114052008) has the molecular formula C11H8Br2ClN3 and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine
PubChem CID114052008
Molecular FormulaC11H8Br2ClN3
Molecular Weight377.47 g/mol
Exact Mass374.88
IUPAC Name5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine
SMILESClc1ncc(Br)cc1NCc1cncc(Br)c1
InChIInChI=1S/C11H8Br2ClN3/c12-8-1-7(3-15-5-8)4-16-10-2-9(13)6-17-11(10)14/h1-3,5-6,16H,4H2
InChIKeyFINFCUNNLGEBHV-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-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

5-bromo-2-chloro-N-ethylpyridin-3-amine
CID 59619948
5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114051940
N-[(5-bromo-3-pyridinyl)methyl]-3,4-dichloroaniline
CID 113454105
N-[(5-bromo-3-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 104796648
5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine
CID 114064009
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine
CID 114051986
N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
CID 104796608
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
CID 88929261
1-(5-bromo-3-pyridinyl)-N-iodomethanamine
CID 91903017
2-[[(5-bromo-2-chloro-3-pyridinyl)amino]methyl]-4-fluorophenol
CID 114051995

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine?
The IUPAC name of 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine (CID 114052008) is 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine is Clc1ncc(Br)cc1NCc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine?
The InChIKey is FINFCUNNLGEBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClN3/c12-8-1-7(3-15-5-8)4-16-10-2-9(13)6-17-11(10)14/h1-3,5-6,16H,4H2.
What are the key properties of 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine?
5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine has a molecular weight of 377.47 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine is sourced from PubChem (CID 114052008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).