Home > Compound List > Compound details
1256835-20-7 molecular structure
click picture or here to close

methyl 6-amino-3-chloropyridine-2-carboxylate

ChemBase ID: 290612
Molecular Formular: C7H7ClN2O2
Molecular Mass: 186.59568
Monoisotopic Mass: 186.01960515
SMILES and InChIs

SMILES:
O=C(OC)c1nc(N)ccc1Cl
Canonical SMILES:
COC(=O)c1nc(N)ccc1Cl
InChI:
InChI=1S/C7H7ClN2O2/c1-12-7(11)6-4(8)2-3-5(9)10-6/h2-3H,1H3,(H2,9,10)
InChIKey:
XUHPYPHVEHKNBT-UHFFFAOYSA-N

Cite this record

CBID:290612 http://www.chembase.cn/molecule-290612.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 6-amino-3-chloropyridine-2-carboxylate
IUPAC Traditional name
methyl 6-amino-3-chloropyridine-2-carboxylate
Synonyms
Methyl 6-amino-3-chloropicolinate
CAS Number
1256835-20-7
PubChem SID
180676143
PubChem CID
53217439

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229835 Please log in.
Data Source Data ID
PubChem 53217439 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3142651  LogD (pH = 7.4) 1.3144742 
Log P 1.314477  Molar Refractivity 45.3731 cm3
Polarizability 16.99403 Å3 Polar Surface Area 65.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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