2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine

C12H11BrClN3O — CID 115320382

IUPAC2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H11BrClN3O/c1-18-11-5-3-9(15)12(17-11)16-10-4-2-7(13)6-8(10)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyQYPRPHMCNWKXHY-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.83
Rot. Bonds3

About 2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine

2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine (PubChem CID 115320382) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine
PubChem CID115320382
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H11BrClN3O/c1-18-11-5-3-9(15)12(17-11)16-10-4-2-7(13)6-8(10)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyQYPRPHMCNWKXHY-UHFFFAOYSA-N
XLogP3.83
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine (CID 115320382) is 2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine is COc1ccc(N)c(Nc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine?
The InChIKey is QYPRPHMCNWKXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-18-11-5-3-9(15)12(17-11)16-10-4-2-7(13)6-8(10)14/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine?
2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine has a molecular weight of 328.60 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 115320382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).