(3aR)-3-chloro-3aH-indazole

C7H5ClN2 — CID 7057718

IUPAC(3aR)-3-chloro-3aH-indazole
SMILESClC1=NN=C2C=CC=C[C@@H]12
InChIInChI=1S/C7H5ClN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-5H/t5-/m1/s1
InChIKeyYDLJQARNBSOPGQ-RXMQYKEDSA-N
MW152.58 g/mol
LogP1.74
Rot. Bonds

About (3aR)-3-chloro-3aH-indazole

(3aR)-3-chloro-3aH-indazole (PubChem CID 7057718) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is (3aR)-3-chloro-3aH-indazole.

Molecular Properties

Compound Name(3aR)-3-chloro-3aH-indazole
PubChem CID7057718
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name(3aR)-3-chloro-3aH-indazole
SMILESClC1=NN=C2C=CC=C[C@@H]12
InChIInChI=1S/C7H5ClN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-5H/t5-/m1/s1
InChIKeyYDLJQARNBSOPGQ-RXMQYKEDSA-N
XLogP1.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aR)-3-chloro-3aH-indazole?
The IUPAC name of (3aR)-3-chloro-3aH-indazole (CID 7057718) is (3aR)-3-chloro-3aH-indazole.
What is the SMILES notation for (3aR)-3-chloro-3aH-indazole?
The canonical SMILES for (3aR)-3-chloro-3aH-indazole is ClC1=NN=C2C=CC=C[C@@H]12.
What is the InChIKey of (3aR)-3-chloro-3aH-indazole?
The InChIKey is YDLJQARNBSOPGQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-5H/t5-/m1/s1.
What are the key properties of (3aR)-3-chloro-3aH-indazole?
(3aR)-3-chloro-3aH-indazole has a molecular weight of 152.58 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3-chloro-3aH-indazole is sourced from PubChem (CID 7057718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).