N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine

C12H10BrClN2O — CID 102824089

IUPACN-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
SMILESCOc1ccc(Br)cc1Nc1ccnc(Cl)c1
InChIInChI=1S/C12H10BrClN2O/c1-17-11-3-2-8(13)6-10(11)16-9-4-5-15-12(14)7-9/h2-7H,1H3,(H,15,16)
InChIKeyMETJLDYULOXEQN-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.25
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine

N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine (PubChem CID 102824089) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
PubChem CID102824089
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
SMILESCOc1ccc(Br)cc1Nc1ccnc(Cl)c1
InChIInChI=1S/C12H10BrClN2O/c1-17-11-3-2-8(13)6-10(11)16-9-4-5-15-12(14)7-9/h2-7H,1H3,(H,15,16)
InChIKeyMETJLDYULOXEQN-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-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

4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367654
N-(4-bromo-2-chlorophenyl)-2-chloropyridin-4-amine
CID 102824004
N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
CID 102824327
3-N-(5-bromo-2-methoxyphenyl)benzene-1,3-diamine
CID 54968360
1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62912318
5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
CID 79073075
5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine
CID 113423853
4-(5-bromo-2-methoxyanilino)-2-methylbenzonitrile
CID 81281831
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761817
N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 62858053
3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
CID 82817698
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine (CID 102824089) is N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine is COc1ccc(Br)cc1Nc1ccnc(Cl)c1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine?
The InChIKey is METJLDYULOXEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-17-11-3-2-8(13)6-10(11)16-9-4-5-15-12(14)7-9/h2-7H,1H3,(H,15,16).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine?
N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine has a molecular weight of 313.58 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine is sourced from PubChem (CID 102824089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).