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351410-62-3 molecular structure
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5-fluoro-2-methoxypyridine-3-carbaldehyde

ChemBase ID: 98019
Molecular Formular: C7H6FNO2
Molecular Mass: 155.1264432
Monoisotopic Mass: 155.03825666
SMILES and InChIs

SMILES:
n1c(c(cc(c1)F)C=O)OC
Canonical SMILES:
COc1ncc(cc1C=O)F
InChI:
InChI=1S/C7H6FNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-4H,1H3
InChIKey:
YAGPZRLCMRMSFP-UHFFFAOYSA-N

Cite this record

CBID:98019 http://www.chembase.cn/molecule-98019.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2-methoxypyridine-3-carbaldehyde
IUPAC Traditional name
5-fluoro-2-methoxypyridine-3-carbaldehyde
Synonyms
5-Fluoro-2-methoxypyridine-3-carboxaldehyde
5-Fluoro-3-formyl-2-methoxypyridine
5-Fluoro-2-methoxynicotinaldehyde
CAS Number
351410-62-3
MDL Number
MFCD04972398
PubChem SID
162084492
PubChem CID
22678323

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 22678323 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0475637  LogD (pH = 7.4) 1.0475639 
Log P 1.0475639  Molar Refractivity 37.4782 cm3
Polarizability 13.636561 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Store under Argon/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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