7-chloro-1H-indazole-5-carbaldehyde

C8H5ClN2O — CID 21102210

IUPAC7-chloro-1H-indazole-5-carbaldehyde
SMILESO=Cc1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C8H5ClN2O/c9-7-2-5(4-12)1-6-3-10-11-8(6)7/h1-4H,(H,10,11)
InChIKeySJVPWDIJIFQCKB-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.03
Rot. Bonds1

About 7-chloro-1H-indazole-5-carbaldehyde

7-chloro-1H-indazole-5-carbaldehyde (PubChem CID 21102210) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 7-chloro-1H-indazole-5-carbaldehyde.

Molecular Properties

Compound Name7-chloro-1H-indazole-5-carbaldehyde
PubChem CID21102210
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name7-chloro-1H-indazole-5-carbaldehyde
SMILESO=Cc1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C8H5ClN2O/c9-7-2-5(4-12)1-6-3-10-11-8(6)7/h1-4H,(H,10,11)
InChIKeySJVPWDIJIFQCKB-UHFFFAOYSA-N
XLogP2.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-indazole-5-carbaldehyde?
The IUPAC name of 7-chloro-1H-indazole-5-carbaldehyde (CID 21102210) is 7-chloro-1H-indazole-5-carbaldehyde.
What is the SMILES notation for 7-chloro-1H-indazole-5-carbaldehyde?
The canonical SMILES for 7-chloro-1H-indazole-5-carbaldehyde is O=Cc1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 7-chloro-1H-indazole-5-carbaldehyde?
The InChIKey is SJVPWDIJIFQCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-7-2-5(4-12)1-6-3-10-11-8(6)7/h1-4H,(H,10,11).
What are the key properties of 7-chloro-1H-indazole-5-carbaldehyde?
7-chloro-1H-indazole-5-carbaldehyde has a molecular weight of 180.59 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-indazole-5-carbaldehyde is sourced from PubChem (CID 21102210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).