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

C12H12BrN3O — CID 82857949

IUPAC5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
SMILESCOc1cc(Br)cc(Nc2ccc(N)nc2)c1
InChIInChI=1S/C12H12BrN3O/c1-17-11-5-8(13)4-10(6-11)16-9-2-3-12(14)15-7-9/h2-7,16H,1H3,(H2,14,15)
InChIKeyQKFPINALSNMXQC-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.18
Rot. Bonds3

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

5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine (PubChem CID 82857949) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
PubChem CID82857949
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
SMILESCOc1cc(Br)cc(Nc2ccc(N)nc2)c1
InChIInChI=1S/C12H12BrN3O/c1-17-11-5-8(13)4-10(6-11)16-9-2-3-12(14)15-7-9/h2-7,16H,1H3,(H2,14,15)
InChIKeyQKFPINALSNMXQC-UHFFFAOYSA-N
XLogP3.18
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide
CID 82858181
2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine
CID 82857328
2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
CID 82857715
3-N-(3-bromo-5-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 107581916
2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 82862288
2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437248
2-bromo-4-(3-bromo-5-methoxyanilino)benzenecarbothioamide
CID 107278026
3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
CID 114837346
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
CID 82859548
2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82860518
5-(3-bromo-5-methoxyanilino)pyrazine-2-carbothioamide
CID 82867984
3-amino-4-(3-bromo-5-methoxyanilino)benzamide
CID 82857398

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine (CID 82857949) is 5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine is COc1cc(Br)cc(Nc2ccc(N)nc2)c1.
What is the InChIKey of 5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine?
The InChIKey is QKFPINALSNMXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-17-11-5-8(13)4-10(6-11)16-9-2-3-12(14)15-7-9/h2-7,16H,1H3,(H2,14,15).
What are the key properties of 5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine?
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine has a molecular weight of 294.15 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 82857949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).