3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde

C15H11ClN2O2 — CID 176677787

IUPAC3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde
SMILESCOc1cccc(-n2nc(Cl)c3cc(C=O)ccc32)c1
InChIInChI=1S/C15H11ClN2O2/c1-20-12-4-2-3-11(8-12)18-14-6-5-10(9-19)7-13(14)15(16)17-18/h2-9H,1H3
InChIKeyAEKPPYMSKXAGHU-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.50
Rot. Bonds3

About 3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde

3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde (PubChem CID 176677787) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde.

Molecular Properties

Compound Name3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde
PubChem CID176677787
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde
SMILESCOc1cccc(-n2nc(Cl)c3cc(C=O)ccc32)c1
InChIInChI=1S/C15H11ClN2O2/c1-20-12-4-2-3-11(8-12)18-14-6-5-10(9-19)7-13(14)15(16)17-18/h2-9H,1H3
InChIKeyAEKPPYMSKXAGHU-UHFFFAOYSA-N
XLogP3.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.50
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-[3-(3-chloroanilino)-5-methoxyindazol-1-yl]benzaldehyde
CID 25097509
3-(3-methylindazol-1-yl)benzaldehyde
CID 105497706
1-acetyl-3-chloroindazole-5-carbaldehyde
CID 90697455
9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde
CID 148796534
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
1-[3-(difluoromethoxy)phenyl]-3-methylindazole-5-carbaldehyde;N,3-dimethylthiolan-3-amine;ethane
CID 162359648
4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418108
3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole
CID 175462145
6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde
CID 90356371
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-(5-methoxy-2-methylbenzimidazol-1-yl)benzaldehyde
CID 155923756
3-(3,5-dimethylpyrazol-1-yl)benzaldehyde;hydrochloride
CID 46735947

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde?
The IUPAC name of 3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde (CID 176677787) is 3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde.
What is the SMILES notation for 3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde?
The canonical SMILES for 3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde is COc1cccc(-n2nc(Cl)c3cc(C=O)ccc32)c1.
What is the InChIKey of 3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde?
The InChIKey is AEKPPYMSKXAGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-12-4-2-3-11(8-12)18-14-6-5-10(9-19)7-13(14)15(16)17-18/h2-9H,1H3.
What are the key properties of 3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde?
3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde has a molecular weight of 286.72 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde is sourced from PubChem (CID 176677787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).