3-chloro-2-indazol-1-ylbenzaldehyde

C14H9ClN2O — CID 114067193

IUPAC3-chloro-2-indazol-1-ylbenzaldehyde
SMILESO=Cc1cccc(Cl)c1-n1ncc2ccccc21
InChIInChI=1S/C14H9ClN2O/c15-12-6-3-5-11(9-18)14(12)17-13-7-2-1-4-10(13)8-16-17/h1-9H
InChIKeyNUAJLZLKXJDRPE-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.49
Rot. Bonds2

About 3-chloro-2-indazol-1-ylbenzaldehyde

3-chloro-2-indazol-1-ylbenzaldehyde (PubChem CID 114067193) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-chloro-2-indazol-1-ylbenzaldehyde.

Molecular Properties

Compound Name3-chloro-2-indazol-1-ylbenzaldehyde
PubChem CID114067193
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name3-chloro-2-indazol-1-ylbenzaldehyde
SMILESO=Cc1cccc(Cl)c1-n1ncc2ccccc21
InChIInChI=1S/C14H9ClN2O/c15-12-6-3-5-11(9-18)14(12)17-13-7-2-1-4-10(13)8-16-17/h1-9H
InChIKeyNUAJLZLKXJDRPE-UHFFFAOYSA-N
XLogP3.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-methylphenyl)indazole
CID 117063200
2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide
CID 76945039
4-chloro-3-indazol-1-ylbenzoic acid
CID 82514554
3-chloro-2-(triazol-1-yl)benzaldehyde
CID 154067436
1-[(2,6-dichlorophenyl)methoxy]indazole
CID 141466296
4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine
CID 103553587
2-chloro-5-indazol-1-ylbenzoic acid
CID 82514553
1-(2-chloropyrimidin-4-yl)indazole
CID 62343876
1-(2-prop-2-enylphenyl)indazole
CID 102233917
3,5-difluoro-4-indazol-1-ylbenzoic acid
CID 63075994
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole
CID 63730381
1-(2-indazol-1-ylphenyl)ethanone
CID 15712135

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-indazol-1-ylbenzaldehyde?
The IUPAC name of 3-chloro-2-indazol-1-ylbenzaldehyde (CID 114067193) is 3-chloro-2-indazol-1-ylbenzaldehyde.
What is the SMILES notation for 3-chloro-2-indazol-1-ylbenzaldehyde?
The canonical SMILES for 3-chloro-2-indazol-1-ylbenzaldehyde is O=Cc1cccc(Cl)c1-n1ncc2ccccc21.
What is the InChIKey of 3-chloro-2-indazol-1-ylbenzaldehyde?
The InChIKey is NUAJLZLKXJDRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-12-6-3-5-11(9-18)14(12)17-13-7-2-1-4-10(13)8-16-17/h1-9H.
What are the key properties of 3-chloro-2-indazol-1-ylbenzaldehyde?
3-chloro-2-indazol-1-ylbenzaldehyde has a molecular weight of 256.69 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-indazol-1-ylbenzaldehyde is sourced from PubChem (CID 114067193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).