(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol

C13H13ClN2O2 — CID 155231247

IUPAC(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol
SMILESOC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C13H13ClN2O2/c14-6-1-10(9-5-15-16-11(9)2-6)13(18)3-7-8(4-13)12(7)17/h1-2,5,7-8,12,17-18H,3-4H2,(H,15,16)/t7-,8+,12?,13?
InChIKeyBRFXHICARVFALO-WTDALBQZSA-N
MW264.71 g/mol
LogP1.80
Rot. Bonds1

About (1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol

(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol (PubChem CID 155231247) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is (1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol.

Molecular Properties

Compound Name(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol
PubChem CID155231247
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol
SMILESOC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C13H13ClN2O2/c14-6-1-10(9-5-15-16-11(9)2-6)13(18)3-7-8(4-13)12(7)17/h1-2,5,7-8,12,17-18H,3-4H2,(H,15,16)/t7-,8+,12?,13?
InChIKeyBRFXHICARVFALO-WTDALBQZSA-N
XLogP1.80
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol?
The IUPAC name of (1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol (CID 155231247) is (1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol.
What is the SMILES notation for (1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol?
The canonical SMILES for (1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol is OC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12.
What is the InChIKey of (1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol?
The InChIKey is BRFXHICARVFALO-WTDALBQZSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-6-1-10(9-5-15-16-11(9)2-6)13(18)3-7-8(4-13)12(7)17/h1-2,5,7-8,12,17-18H,3-4H2,(H,15,16)/t7-,8+,12?,13?.
What are the key properties of (1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol?
(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol has a molecular weight of 264.71 g/mol, XLogP of 1.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol is sourced from PubChem (CID 155231247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).