(5-chloro-2H-indazol-3-yl)methanol

C8H7ClN2O — CID 22477852

IUPAC(5-chloro-2H-indazol-3-yl)methanol
SMILESOCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C8H7ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4H2,(H,10,11)
InChIKeyYBUIOIPQDAOQHA-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.71
Rot. Bonds1

About (5-chloro-2H-indazol-3-yl)methanol

(5-chloro-2H-indazol-3-yl)methanol (PubChem CID 22477852) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is (5-chloro-2H-indazol-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2H-indazol-3-yl)methanol
PubChem CID22477852
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name(5-chloro-2H-indazol-3-yl)methanol
SMILESOCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C8H7ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4H2,(H,10,11)
InChIKeyYBUIOIPQDAOQHA-UHFFFAOYSA-N
XLogP1.71
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2H-indazol-3-yl)methanol?
The IUPAC name of (5-chloro-2H-indazol-3-yl)methanol (CID 22477852) is (5-chloro-2H-indazol-3-yl)methanol.
What is the SMILES notation for (5-chloro-2H-indazol-3-yl)methanol?
The canonical SMILES for (5-chloro-2H-indazol-3-yl)methanol is OCc1[nH]nc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-2H-indazol-3-yl)methanol?
The InChIKey is YBUIOIPQDAOQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4H2,(H,10,11).
What are the key properties of (5-chloro-2H-indazol-3-yl)methanol?
(5-chloro-2H-indazol-3-yl)methanol has a molecular weight of 182.61 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2H-indazol-3-yl)methanol is sourced from PubChem (CID 22477852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).