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329202-22-4 molecular structure
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3-chloro-5-ethynylpyridine

ChemBase ID: 799156
Molecular Formular: C7H4ClN
Molecular Mass: 137.56636
Monoisotopic Mass: 137.00322681
SMILES and InChIs

SMILES:
n1cc(cc(c1)C#C)Cl
Canonical SMILES:
Clc1cc(cnc1)C#C
InChI:
InChI=1S/C7H4ClN/c1-2-6-3-7(8)5-9-4-6/h1,3-5H
InChIKey:
MZOIQYPOUQWDQZ-UHFFFAOYSA-N

Cite this record

CBID:799156 http://www.chembase.cn/molecule-799156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-5-ethynylpyridine
IUPAC Traditional name
3-chloro-5-ethynylpyridine
Synonyms
3-chloro-5-ethynylpyridine
CAS Number
329202-22-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13425 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13425 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5101662  LogD (pH = 7.4) 1.5104498 
Log P 1.5104533  Molar Refractivity 33.8782 cm3
Polarizability 13.890685 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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