6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine

C13H12BrClN2O — CID 63963848

IUPAC6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1cccc(Br)n1
InChIInChI=1S/C13H12BrClN2O/c1-8-6-10(11(18-2)7-9(8)15)16-13-5-3-4-12(14)17-13/h3-7H,1-2H3,(H,16,17)
InChIKeySNDBMSRITDSZKJ-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.56
Rot. Bonds3

About 6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine

6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine (PubChem CID 63963848) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
PubChem CID63963848
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1cccc(Br)n1
InChIInChI=1S/C13H12BrClN2O/c1-8-6-10(11(18-2)7-9(8)15)16-13-5-3-4-12(14)17-13/h3-7H,1-2H3,(H,16,17)
InChIKeySNDBMSRITDSZKJ-UHFFFAOYSA-N
XLogP4.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63463007
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 55080744
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112906745
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927228
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903458
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905095
6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 63961087
4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876003
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967183
6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877212
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929358

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine (CID 63963848) is 6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine is COc1cc(Cl)c(C)cc1Nc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine?
The InChIKey is SNDBMSRITDSZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8-6-10(11(18-2)7-9(8)15)16-13-5-3-4-12(14)17-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of 6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine?
6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine has a molecular weight of 327.61 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 63963848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).