trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride

C11H11ClN2O2 — CID 155943295

IUPACtrans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@H]1c1cccc2cn[nH]c12
InChIInChI=1S/C11H10N2O2.ClH/c14-11(15)9-4-8(9)7-3-1-2-6-5-12-13-10(6)7;/h1-3,5,8-9H,4H2,(H,12,13)(H,14,15);1H/t8-,9+;/m0./s1
InChIKeyPXMBNCKBWGOGCS-OULXEKPRSA-N
MW238.67 g/mol
LogP2.17
Rot. Bonds2

About trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride

trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 155943295) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID155943295
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Nametrans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@H]1c1cccc2cn[nH]c12
InChIInChI=1S/C11H10N2O2.ClH/c14-11(15)9-4-8(9)7-3-1-2-6-5-12-13-10(6)7;/h1-3,5,8-9H,4H2,(H,12,13)(H,14,15);1H/t8-,9+;/m0./s1
InChIKeyPXMBNCKBWGOGCS-OULXEKPRSA-N
XLogP2.17
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride (CID 155943295) is trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@H]1c1cccc2cn[nH]c12.
What is the InChIKey of trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is PXMBNCKBWGOGCS-OULXEKPRSA-N. The full InChI is InChI=1S/C11H10N2O2.ClH/c14-11(15)9-4-8(9)7-3-1-2-6-5-12-13-10(6)7;/h1-3,5,8-9H,4H2,(H,12,13)(H,14,15);1H/t8-,9+;/m0./s1.
What are the key properties of trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride?
trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 238.67 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 155943295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).