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342601-29-0 molecular structure
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5-(thiophen-2-yl)pyridine-3-carbaldehyde

ChemBase ID: 811561
Molecular Formular: C10H7NOS
Molecular Mass: 189.23368
Monoisotopic Mass: 189.02483485
SMILES and InChIs

SMILES:
n1cc(cc(c1)c1sccc1)C=O
Canonical SMILES:
O=Cc1cncc(c1)c1cccs1
InChI:
InChI=1S/C10H7NOS/c12-7-8-4-9(6-11-5-8)10-2-1-3-13-10/h1-7H
InChIKey:
FBPWUPSFSBCFKP-UHFFFAOYSA-N

Cite this record

CBID:811561 http://www.chembase.cn/molecule-811561.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(thiophen-2-yl)pyridine-3-carbaldehyde
IUPAC Traditional name
5-(thiophen-2-yl)pyridine-3-carbaldehyde
Synonyms
5-(THIOPHEN-2-YL)PYRIDINE-3-CARBALDEHYDE
CAS Number
342601-29-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30981 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30981 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) 1.8904262  LogD (pH = 7.4) 1.8924236 
Log P 1.8924491  Molar Refractivity 52.5112 cm3
Polarizability 20.934805 Å3 Polar Surface Area 29.96 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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