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

C13H14BrN3O2 — CID 79531944

IUPAC3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
SMILESCOc1cc(Nc2ncc(N)cc2Br)cc(OC)c1
InChIInChI=1S/C13H14BrN3O2/c1-18-10-4-9(5-11(6-10)19-2)17-13-12(14)3-8(15)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyYZHZRKDCHXPHHT-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.19
Rot. Bonds4

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

3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine (PubChem CID 79531944) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
PubChem CID79531944
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
SMILESCOc1cc(Nc2ncc(N)cc2Br)cc(OC)c1
InChIInChI=1S/C13H14BrN3O2/c1-18-10-4-9(5-11(6-10)19-2)17-13-12(14)3-8(15)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyYZHZRKDCHXPHHT-UHFFFAOYSA-N
XLogP3.19
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine (CID 79531944) is 3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine is COc1cc(Nc2ncc(N)cc2Br)cc(OC)c1.
What is the InChIKey of 3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine?
The InChIKey is YZHZRKDCHXPHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-18-10-4-9(5-11(6-10)19-2)17-13-12(14)3-8(15)7-16-13/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine?
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine has a molecular weight of 324.18 g/mol, XLogP of 3.19, 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-(3,5-dimethoxyphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 79531944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).