3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol

C11H13ClN2O2 — CID 171862235

IUPAC3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol
SMILESCc1[nH]nc2cc(C(O)C(O)CCl)ccc12
InChIInChI=1S/C11H13ClN2O2/c1-6-8-3-2-7(4-9(8)14-13-6)11(16)10(15)5-12/h2-4,10-11,15-16H,5H2,1H3,(H,13,14)
InChIKeyYQOLEMJUZDQNRH-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.50
Rot. Bonds3

About 3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol

3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol (PubChem CID 171862235) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol
PubChem CID171862235
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol
SMILESCc1[nH]nc2cc(C(O)C(O)CCl)ccc12
InChIInChI=1S/C11H13ClN2O2/c1-6-8-3-2-7(4-9(8)14-13-6)11(16)10(15)5-12/h2-4,10-11,15-16H,5H2,1H3,(H,13,14)
InChIKeyYQOLEMJUZDQNRH-UHFFFAOYSA-N
XLogP1.50
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol
CID 171862802
ethane;3-methyl-2H-indazol-6-ol
CID 144952867
4-(3-chloro-1,2-dihydroxypropyl)-2-methylbenzaldehyde
CID 171861974
3-chloro-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 171861478
6-(3-chloro-1,2-dihydroxypropyl)-2-methyl-1H-quinolin-4-one
CID 171862869
5-butan-2-yl-3-methyl-2H-indazole
CID 91164827
ethane;6-fluoro-3-methyl-2H-indazole
CID 145099326
(3-methyl-2H-indazol-6-yl)methanamine;dihydrochloride
CID 170918567
N-methyl-3-(3-methyl-2H-indazol-6-yl)-3-pyridin-2-ylpropanamide
CID 143475490
6-methoxy-3-(3-methyl-2H-indazol-6-yl)-2-propan-2-ylhexanoic acid
CID 68974753
3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol
CID 171862236
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol (CID 171862235) is 3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol is Cc1[nH]nc2cc(C(O)C(O)CCl)ccc12.
What is the InChIKey of 3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol?
The InChIKey is YQOLEMJUZDQNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-6-8-3-2-7(4-9(8)14-13-6)11(16)10(15)5-12/h2-4,10-11,15-16H,5H2,1H3,(H,13,14).
What are the key properties of 3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol?
3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol has a molecular weight of 240.69 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol is sourced from PubChem (CID 171862235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).