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1092961-10-8 molecular structure
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(1-methyl-1H-indazol-6-yl)methanol

ChemBase ID: 87419
Molecular Formular: C9H10N2O
Molecular Mass: 162.1885
Monoisotopic Mass: 162.07931295
SMILES and InChIs

SMILES:
n1(c2cc(ccc2cn1)CO)C
Canonical SMILES:
Cn1ncc2c1cc(CO)cc2
InChI:
InChI=1S/C9H10N2O/c1-11-9-4-7(6-12)2-3-8(9)5-10-11/h2-5,12H,6H2,1H3
InChIKey:
BVPUKTSBKDFGBN-UHFFFAOYSA-N

Cite this record

CBID:87419 http://www.chembase.cn/molecule-87419.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-methyl-1H-indazol-6-yl)methanol
IUPAC Traditional name
(1-methylindazol-6-yl)methanol
Synonyms
(1-Methyl-1H-indazol-6-yl)methanol
6-(Hydroxymethyl)-1-methyl-1H-indazole
CAS Number
1092961-10-8
MDL Number
MFCD11052638
PubChem SID
162074507
PubChem CID
44119265

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR30863 external link Add to cart Please log in.
Data Source Data ID
PubChem 44119265 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.890549  H Acceptors
H Donor LogD (pH = 5.5) 0.6526195 
LogD (pH = 7.4) 0.6526338  Log P 0.65263397 
Molar Refractivity 58.105 cm3 Polarizability 18.866701 Å3
Polar Surface Area 38.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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