Home > Compound List > Compound details
158387-20-3 molecular structure
click picture or here to close

5-chloro-6-methoxypyridin-3-amine

ChemBase ID: 293160
Molecular Formular: C6H7ClN2O
Molecular Mass: 158.58558
Monoisotopic Mass: 158.02469053
SMILES and InChIs

SMILES:
Nc1cc(Cl)c(OC)nc1
Canonical SMILES:
COc1ncc(cc1Cl)N
InChI:
InChI=1S/C6H7ClN2O/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,8H2,1H3
InChIKey:
XSUGEKNUDFVPPO-UHFFFAOYSA-N

Cite this record

CBID:293160 http://www.chembase.cn/molecule-293160.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-6-methoxypyridin-3-amine
IUPAC Traditional name
5-chloro-6-methoxypyridin-3-amine
Synonyms
5-Chloro-6-methoxypyridin-3-amine
CAS Number
158387-20-3
MDL Number
MFCD13190367
PubChem SID
180678691
PubChem CID
57370234

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 57370234 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.96740866  LogD (pH = 7.4) 0.9674775 
Log P 0.9674784  Molar Refractivity 40.183 cm3
Polarizability 15.046443 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle