3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol

C11H13ClN2O2 — CID 171862236

IUPAC3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol
SMILESCn1ncc2ccc(C(O)C(O)CCl)cc21
InChIInChI=1S/C11H13ClN2O2/c1-14-9-4-7(11(16)10(15)5-12)2-3-8(9)6-13-14/h2-4,6,10-11,15-16H,5H2,1H3
InChIKeyIGQMYEDLAABBIT-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.21
Rot. Bonds3

About 3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol

3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol (PubChem CID 171862236) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol
PubChem CID171862236
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol
SMILESCn1ncc2ccc(C(O)C(O)CCl)cc21
InChIInChI=1S/C11H13ClN2O2/c1-14-9-4-7(11(16)10(15)5-12)2-3-8(9)6-13-14/h2-4,6,10-11,15-16H,5H2,1H3
InChIKeyIGQMYEDLAABBIT-UHFFFAOYSA-N
XLogP1.21
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylindazol-6-yl)propan-1-ol
CID 117281911
6-butan-2-yl-1-methylindazole
CID 118069514
6-(3-chloro-1,2-dihydroxypropyl)-2H-isoquinolin-3-one
CID 171862826
ethane;(1-methylindazol-6-yl)methanol
CID 168921165
3-chloro-1-(2-methoxypyrimidin-5-yl)propane-1,2-diol
CID 171861723
N,1-dimethylindazol-6-amine
CID 23544368
1-methylindazole-6-sulfonic acid
CID 22889763
3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol
CID 171862235
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308
1-(4-amino-3-hydroxyphenyl)-3-chloropropane-1,2-diol
CID 171861803
1-(4-bromo-3-chlorophenyl)-3-chloropropane-1,2-diol
CID 171863117
(1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol
CID 58486137

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol (CID 171862236) is 3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol is Cn1ncc2ccc(C(O)C(O)CCl)cc21.
What is the InChIKey of 3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol?
The InChIKey is IGQMYEDLAABBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-14-9-4-7(11(16)10(15)5-12)2-3-8(9)6-13-14/h2-4,6,10-11,15-16H,5H2,1H3.
What are the key properties of 3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol?
3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol has a molecular weight of 240.69 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol is sourced from PubChem (CID 171862236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).