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1215787-31-7 molecular structure
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6-bromo-4-chloropyrido[2,3-d]pyrimidine

ChemBase ID: 67155
Molecular Formular: C7H3BrClN3
Molecular Mass: 244.47582
Monoisotopic Mass: 242.91988679
SMILES and InChIs

SMILES:
c1nc2c(c(n1)Cl)cc(cn2)Br
Canonical SMILES:
Brc1cnc2c(c1)c(Cl)ncn2
InChI:
InChI=1S/C7H3BrClN3/c8-4-1-5-6(9)11-3-12-7(5)10-2-4/h1-3H
InChIKey:
RXOCJQZPMNEQJD-UHFFFAOYSA-N

Cite this record

CBID:67155 http://www.chembase.cn/molecule-67155.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-4-chloropyrido[2,3-d]pyrimidine
IUPAC Traditional name
6-bromo-4-chloropyrido[2,3-d]pyrimidine
Synonyms
6-Bromo-4-chloropyrido[2,3-d]pyrimidine
CAS Number
1215787-31-7
MDL Number
MFCD11040200
PubChem SID
162032891
PubChem CID
52983817

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 52983817 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1253657  LogD (pH = 7.4) 2.125369 
Log P 2.125369  Molar Refractivity 51.7053 cm3
Polarizability 19.37237 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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