Home > Compound List > Compound details
51674-77-2 molecular structure
click picture or here to close

4-chloropyrido[3,2-d]pyrimidine

ChemBase ID: 63290
Molecular Formular: C7H4ClN3
Molecular Mass: 165.57976
Monoisotopic Mass: 165.00937482
SMILES and InChIs

SMILES:
c1nc2c(ncnc2Cl)cc1
Canonical SMILES:
Clc1ncnc2c1nccc2
InChI:
InChI=1S/C7H4ClN3/c8-7-6-5(10-4-11-7)2-1-3-9-6/h1-4H
InChIKey:
PVTHTRIHQGKZNE-UHFFFAOYSA-N

Cite this record

CBID:63290 http://www.chembase.cn/molecule-63290.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloropyrido[3,2-d]pyrimidine
IUPAC Traditional name
4-chloropyrido[3,2-d]pyrimidine
Synonyms
4-Chloropyrido[3,2-d]pyrimidine
CAS Number
51674-77-2
MDL Number
MFCD10566748
PubChem SID
162029029
PubChem CID
13101639

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13101639 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4167618  LogD (pH = 7.4) 1.4174534 
Log P 1.4174623  Molar Refractivity 42.1377 cm3
Polarizability 17.119719 Å3 Polar Surface Area 38.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
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