1-[(2R)-3-chloro-2-methylpropyl]indazole

C11H13ClN2 — CID 118871643

IUPAC1-[(2R)-3-chloro-2-methylpropyl]indazole
SMILESCC(CCl)Cn1ncc2ccccc21
InChIInChI=1S/C11H13ClN2/c1-9(6-12)8-14-11-5-3-2-4-10(11)7-13-14/h2-5,7,9H,6,8H2,1H3
InChIKeyLKXHNADJNOHWMP-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.91
Rot. Bonds3

About 1-[(2R)-3-chloro-2-methylpropyl]indazole

1-[(2R)-3-chloro-2-methylpropyl]indazole (PubChem CID 118871643) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-[(2R)-3-chloro-2-methylpropyl]indazole.

Molecular Properties

Compound Name1-[(2R)-3-chloro-2-methylpropyl]indazole
PubChem CID118871643
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name1-[(2R)-3-chloro-2-methylpropyl]indazole
SMILESCC(CCl)Cn1ncc2ccccc21
InChIInChI=1S/C11H13ClN2/c1-9(6-12)8-14-11-5-3-2-4-10(11)7-13-14/h2-5,7,9H,6,8H2,1H3
InChIKeyLKXHNADJNOHWMP-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-chloro-2-methylpropyl]indazole?
The IUPAC name of 1-[(2R)-3-chloro-2-methylpropyl]indazole (CID 118871643) is 1-[(2R)-3-chloro-2-methylpropyl]indazole.
What is the SMILES notation for 1-[(2R)-3-chloro-2-methylpropyl]indazole?
The canonical SMILES for 1-[(2R)-3-chloro-2-methylpropyl]indazole is CC(CCl)Cn1ncc2ccccc21.
What is the InChIKey of 1-[(2R)-3-chloro-2-methylpropyl]indazole?
The InChIKey is LKXHNADJNOHWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-9(6-12)8-14-11-5-3-2-4-10(11)7-13-14/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 1-[(2R)-3-chloro-2-methylpropyl]indazole?
1-[(2R)-3-chloro-2-methylpropyl]indazole has a molecular weight of 208.69 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-chloro-2-methylpropyl]indazole is sourced from PubChem (CID 118871643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).