3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine

C13H13BrClN3O2 — CID 79532276

IUPAC3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine
SMILESCOc1cc(OC)c(Nc2ncc(N)cc2Br)cc1Cl
InChIInChI=1S/C13H13BrClN3O2/c1-19-11-5-12(20-2)10(4-9(11)15)18-13-8(14)3-7(16)6-17-13/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyYNZPXDSTHMESTD-UHFFFAOYSA-N
MW358.62 g/mol
LogP3.84
Rot. Bonds4

About 3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine

3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine (PubChem CID 79532276) has the molecular formula C13H13BrClN3O2 and a molecular weight of 358.62 g/mol. Its IUPAC name is 3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine
PubChem CID79532276
Molecular FormulaC13H13BrClN3O2
Molecular Weight358.62 g/mol
Exact Mass356.99
IUPAC Name3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine
SMILESCOc1cc(OC)c(Nc2ncc(N)cc2Br)cc1Cl
InChIInChI=1S/C13H13BrClN3O2/c1-19-11-5-12(20-2)10(4-9(11)15)18-13-8(14)3-7(16)6-17-13/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyYNZPXDSTHMESTD-UHFFFAOYSA-N
XLogP3.84
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
CID 105367588
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 66340346
3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385
2-N-(5-chloro-2,4-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173617
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152445
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148297
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine
CID 61373201
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149250
3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
CID 114836602

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine (CID 79532276) is 3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine is COc1cc(OC)c(Nc2ncc(N)cc2Br)cc1Cl.
What is the InChIKey of 3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine?
The InChIKey is YNZPXDSTHMESTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2/c1-19-11-5-12(20-2)10(4-9(11)15)18-13-8(14)3-7(16)6-17-13/h3-6H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine?
3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine has a molecular weight of 358.62 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 79532276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).