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1227577-18-5 molecular structure
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6-fluoro-4-methylpyridin-3-ol

ChemBase ID: 98192
Molecular Formular: C6H6FNO
Molecular Mass: 127.1163432
Monoisotopic Mass: 127.04334204
SMILES and InChIs

SMILES:
n1c(cc(c(c1)O)C)F
Canonical SMILES:
Fc1ncc(c(c1)C)O
InChI:
InChI=1S/C6H6FNO/c1-4-2-6(7)8-3-5(4)9/h2-3,9H,1H3
InChIKey:
TUUUGYGFGFUHAC-UHFFFAOYSA-N

Cite this record

CBID:98192 http://www.chembase.cn/molecule-98192.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoro-4-methylpyridin-3-ol
IUPAC Traditional name
6-fluoro-4-methylpyridin-3-ol
Synonyms
6-Fluoro-4-methylpyridin-3-ol
2-Fluoro-5-hydroxy-4-picoline
2-Fluoro-5-hydroxy-4-methylpyridine
CAS Number
1227577-18-5
PubChem SID
162084647
PubChem CID
71299634

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC51126 external link Add to cart Please log in.
Data Source Data ID
PubChem 71299634 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.880957  H Acceptors
H Donor LogD (pH = 5.5) 1.5018831 
LogD (pH = 7.4) 1.4881886  Log P 1.5020621 
Molar Refractivity 32.1543 cm3 Polarizability 11.534555 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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