1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

C13H15ClN2O — CID 121320428

IUPAC1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
SMILESOC1(c2cc(Cl)cc3[nH]ncc23)CCCCC1
InChIInChI=1S/C13H15ClN2O/c14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13/h6-8,17H,1-5H2,(H,15,16)
InChIKeyBMCNEGXEBQNZAQ-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.37
Rot. Bonds1

About 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol (PubChem CID 121320428) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
PubChem CID121320428
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
SMILESOC1(c2cc(Cl)cc3[nH]ncc23)CCCCC1
InChIInChI=1S/C13H15ClN2O/c14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13/h6-8,17H,1-5H2,(H,15,16)
InChIKeyBMCNEGXEBQNZAQ-UHFFFAOYSA-N
XLogP3.37
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol (CID 121320428) is 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol is OC1(c2cc(Cl)cc3[nH]ncc23)CCCCC1.
What is the InChIKey of 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The InChIKey is BMCNEGXEBQNZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13/h6-8,17H,1-5H2,(H,15,16).
What are the key properties of 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol has a molecular weight of 250.73 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 121320428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).