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884494-79-5 molecular structure
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(5-chloro-2-fluoropyridin-3-yl)methanol

ChemBase ID: 796148
Molecular Formular: C6H5ClFNO
Molecular Mass: 161.5614032
Monoisotopic Mass: 161.00436969
SMILES and InChIs

SMILES:
C(O)c1c(ncc(c1)Cl)F
Canonical SMILES:
OCc1cc(Cl)cnc1F
InChI:
InChI=1S/C6H5ClFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2
InChIKey:
NBGVSDKQZOVTNV-UHFFFAOYSA-N

Cite this record

CBID:796148 http://www.chembase.cn/molecule-796148.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-chloro-2-fluoropyridin-3-yl)methanol
IUPAC Traditional name
(5-chloro-2-fluoropyridin-3-yl)methanol
Synonyms
(5-Chloro-2-fluoropyridin-3-yl)Methanol
CAS Number
884494-79-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1662 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.066555  H Acceptors
H Donor LogD (pH = 5.5) 1.1289009 
LogD (pH = 7.4) 1.1289008  Log P 1.1289009 
Molar Refractivity 36.7529 cm3 Polarizability 13.592876 Å3
Polar Surface Area 33.12 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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