2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine

C13H14BrN3O — CID 82857328

IUPAC2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine
SMILESCOc1cc(Br)cc(Nc2ncc(N)cc2C)c1
InChIInChI=1S/C13H14BrN3O/c1-8-3-10(15)7-16-13(8)17-11-4-9(14)5-12(6-11)18-2/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyPBKSMWKSIASJSG-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.49
Rot. Bonds3

About 2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine

2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine (PubChem CID 82857328) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine
PubChem CID82857328
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine
SMILESCOc1cc(Br)cc(Nc2ncc(N)cc2C)c1
InChIInChI=1S/C13H14BrN3O/c1-8-3-10(15)7-16-13(8)17-11-4-9(14)5-12(6-11)18-2/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyPBKSMWKSIASJSG-UHFFFAOYSA-N
XLogP3.49
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
CID 107571400
3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine
CID 62477219
3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
CID 114837346
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
3-N-(3-bromo-5-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 107581916
3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 113413780
N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine
CID 82860927
2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
CID 62476193
4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 82859543
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82860701

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine (CID 82857328) is 2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine is COc1cc(Br)cc(Nc2ncc(N)cc2C)c1.
What is the InChIKey of 2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine?
The InChIKey is PBKSMWKSIASJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-3-10(15)7-16-13(8)17-11-4-9(14)5-12(6-11)18-2/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine?
2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine has a molecular weight of 308.18 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 82857328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).