1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol

C10H12ClN3O — CID 135509961

IUPAC1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol
SMILESC[C@H](N)Cn1ncc2ccc(O)c(Cl)c21
InChIInChI=1S/C10H12ClN3O/c1-6(12)5-14-10-7(4-13-14)2-3-8(15)9(10)11/h2-4,6,15H,5,12H2,1H3/t6-/m0/s1
InChIKeyVCXUEWRCJZWCJB-LURJTMIESA-N
MW225.68 g/mol
LogP1.74
Rot. Bonds2

About 1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol

1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol (PubChem CID 135509961) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol
PubChem CID135509961
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol
SMILESC[C@H](N)Cn1ncc2ccc(O)c(Cl)c21
InChIInChI=1S/C10H12ClN3O/c1-6(12)5-14-10-7(4-13-14)2-3-8(15)9(10)11/h2-4,6,15H,5,12H2,1H3/t6-/m0/s1
InChIKeyVCXUEWRCJZWCJB-LURJTMIESA-N
XLogP1.74
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol?
The IUPAC name of 1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol (CID 135509961) is 1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol?
The canonical SMILES for 1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol is C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21.
What is the InChIKey of 1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol?
The InChIKey is VCXUEWRCJZWCJB-LURJTMIESA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-6(12)5-14-10-7(4-13-14)2-3-8(15)9(10)11/h2-4,6,15H,5,12H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol?
1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol has a molecular weight of 225.68 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]-7-chloroindazol-6-ol is sourced from PubChem (CID 135509961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).