3-(6-chloro-1H-indazol-5-yl)propan-1-ol

C10H11ClN2O — CID 177150216

IUPAC3-(6-chloro-1H-indazol-5-yl)propan-1-ol
SMILESOCCCc1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C10H11ClN2O/c11-9-5-10-8(6-12-13-10)4-7(9)2-1-3-14/h4-6,14H,1-3H2,(H,12,13)
InChIKeyRTJKOVGEWNDKHV-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.14
Rot. Bonds3

About 3-(6-chloro-1H-indazol-5-yl)propan-1-ol

3-(6-chloro-1H-indazol-5-yl)propan-1-ol (PubChem CID 177150216) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-(6-chloro-1H-indazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-chloro-1H-indazol-5-yl)propan-1-ol
PubChem CID177150216
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-(6-chloro-1H-indazol-5-yl)propan-1-ol
SMILESOCCCc1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C10H11ClN2O/c11-9-5-10-8(6-12-13-10)4-7(9)2-1-3-14/h4-6,14H,1-3H2,(H,12,13)
InChIKeyRTJKOVGEWNDKHV-UHFFFAOYSA-N
XLogP2.14
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-indazol-5-yl)propan-1-ol?
The IUPAC name of 3-(6-chloro-1H-indazol-5-yl)propan-1-ol (CID 177150216) is 3-(6-chloro-1H-indazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(6-chloro-1H-indazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(6-chloro-1H-indazol-5-yl)propan-1-ol is OCCCc1cc2cn[nH]c2cc1Cl.
What is the InChIKey of 3-(6-chloro-1H-indazol-5-yl)propan-1-ol?
The InChIKey is RTJKOVGEWNDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-9-5-10-8(6-12-13-10)4-7(9)2-1-3-14/h4-6,14H,1-3H2,(H,12,13).
What are the key properties of 3-(6-chloro-1H-indazol-5-yl)propan-1-ol?
3-(6-chloro-1H-indazol-5-yl)propan-1-ol has a molecular weight of 210.66 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-indazol-5-yl)propan-1-ol is sourced from PubChem (CID 177150216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).