1-acetyl-3-chloroindazole-5-carbaldehyde

C10H7ClN2O2 — CID 90697455

IUPAC1-acetyl-3-chloroindazole-5-carbaldehyde
SMILESCC(=O)n1nc(Cl)c2cc(C=O)ccc21
InChIInChI=1S/C10H7ClN2O2/c1-6(15)13-9-3-2-7(5-14)4-8(9)10(11)12-13/h2-5H,1H3
InChIKeyRPSZLTNJZPXWKS-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.16
Rot. Bonds1

About 1-acetyl-3-chloroindazole-5-carbaldehyde

1-acetyl-3-chloroindazole-5-carbaldehyde (PubChem CID 90697455) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 1-acetyl-3-chloroindazole-5-carbaldehyde.

Molecular Properties

Compound Name1-acetyl-3-chloroindazole-5-carbaldehyde
PubChem CID90697455
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name1-acetyl-3-chloroindazole-5-carbaldehyde
SMILESCC(=O)n1nc(Cl)c2cc(C=O)ccc21
InChIInChI=1S/C10H7ClN2O2/c1-6(15)13-9-3-2-7(5-14)4-8(9)10(11)12-13/h2-5H,1H3
InChIKeyRPSZLTNJZPXWKS-UHFFFAOYSA-N
XLogP2.16
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde
CID 176677787
9-tert-butylcarbazole-3,6-dicarbaldehyde
CID 140847857
9-acetyl-7-methoxycarbazole-2-carbaldehyde
CID 176804887
(E)-3-(3-chloro-1-methylindazol-5-yl)prop-2-en-1-amine
CID 117317344
3-chloro-1-propan-2-ylindole-5-carbaldehyde
CID 90356011
6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde
CID 90356371
1-acetylpyrrole-3-carbaldehyde
CID 12572342
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825
3-iodo-1-methylindole-5-carbaldehyde
CID 124908219
2-amino-3-(3-chloro-1-methylindazol-5-yl)propanoic acid
CID 117387142
9-methyl-6-nitrocarbazole-3-carbaldehyde
CID 23559399
3-acetyl-1H-indazole-5-carbaldehyde
CID 169168282

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-chloroindazole-5-carbaldehyde?
The IUPAC name of 1-acetyl-3-chloroindazole-5-carbaldehyde (CID 90697455) is 1-acetyl-3-chloroindazole-5-carbaldehyde.
What is the SMILES notation for 1-acetyl-3-chloroindazole-5-carbaldehyde?
The canonical SMILES for 1-acetyl-3-chloroindazole-5-carbaldehyde is CC(=O)n1nc(Cl)c2cc(C=O)ccc21.
What is the InChIKey of 1-acetyl-3-chloroindazole-5-carbaldehyde?
The InChIKey is RPSZLTNJZPXWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-6(15)13-9-3-2-7(5-14)4-8(9)10(11)12-13/h2-5H,1H3.
What are the key properties of 1-acetyl-3-chloroindazole-5-carbaldehyde?
1-acetyl-3-chloroindazole-5-carbaldehyde has a molecular weight of 222.63 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-chloroindazole-5-carbaldehyde is sourced from PubChem (CID 90697455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).