2-(3-amino-6-bromoindazol-1-yl)ethanol

C9H10BrN3O — CID 135312916

IUPAC2-(3-amino-6-bromoindazol-1-yl)ethanol
SMILESNc1nn(CCO)c2cc(Br)ccc12
InChIInChI=1S/C9H10BrN3O/c10-6-1-2-7-8(5-6)13(3-4-14)12-9(7)11/h1-2,5,14H,3-4H2,(H2,11,12)
InChIKeyMKABFKKRKDQFRC-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.37
Rot. Bonds2

About 2-(3-amino-6-bromoindazol-1-yl)ethanol

2-(3-amino-6-bromoindazol-1-yl)ethanol (PubChem CID 135312916) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-(3-amino-6-bromoindazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-amino-6-bromoindazol-1-yl)ethanol
PubChem CID135312916
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name2-(3-amino-6-bromoindazol-1-yl)ethanol
SMILESNc1nn(CCO)c2cc(Br)ccc12
InChIInChI=1S/C9H10BrN3O/c10-6-1-2-7-8(5-6)13(3-4-14)12-9(7)11/h1-2,5,14H,3-4H2,(H2,11,12)
InChIKeyMKABFKKRKDQFRC-UHFFFAOYSA-N
XLogP1.37
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-bromoindazol-1-yl)ethanol?
The IUPAC name of 2-(3-amino-6-bromoindazol-1-yl)ethanol (CID 135312916) is 2-(3-amino-6-bromoindazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-amino-6-bromoindazol-1-yl)ethanol?
The canonical SMILES for 2-(3-amino-6-bromoindazol-1-yl)ethanol is Nc1nn(CCO)c2cc(Br)ccc12.
What is the InChIKey of 2-(3-amino-6-bromoindazol-1-yl)ethanol?
The InChIKey is MKABFKKRKDQFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c10-6-1-2-7-8(5-6)13(3-4-14)12-9(7)11/h1-2,5,14H,3-4H2,(H2,11,12).
What are the key properties of 2-(3-amino-6-bromoindazol-1-yl)ethanol?
2-(3-amino-6-bromoindazol-1-yl)ethanol has a molecular weight of 256.10 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-bromoindazol-1-yl)ethanol is sourced from PubChem (CID 135312916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).