3-(3-methylindazol-1-yl)benzaldehyde

C15H12N2O — CID 105497706

IUPAC3-(3-methylindazol-1-yl)benzaldehyde
SMILESCc1nn(-c2cccc(C=O)c2)c2ccccc12
InChIInChI=1S/C15H12N2O/c1-11-14-7-2-3-8-15(14)17(16-11)13-6-4-5-12(9-13)10-18/h2-10H,1H3
InChIKeyHDRSHOCTJKVAQQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.15
Rot. Bonds2

About 3-(3-methylindazol-1-yl)benzaldehyde

3-(3-methylindazol-1-yl)benzaldehyde (PubChem CID 105497706) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(3-methylindazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-(3-methylindazol-1-yl)benzaldehyde
PubChem CID105497706
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(3-methylindazol-1-yl)benzaldehyde
SMILESCc1nn(-c2cccc(C=O)c2)c2ccccc12
InChIInChI=1S/C15H12N2O/c1-11-14-7-2-3-8-15(14)17(16-11)13-6-4-5-12(9-13)10-18/h2-10H,1H3
InChIKeyHDRSHOCTJKVAQQ-UHFFFAOYSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.15
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

3-(3,5-dimethylpyrazol-1-yl)benzaldehyde;hydrochloride
CID 46735947
3-(5-methylpyrazol-1-yl)benzaldehyde
CID 121219228
3-chloro-1-(3-methoxyphenyl)indazole-5-carbaldehyde
CID 176677787
6-bromo-3-methyl-1-phenylindazole
CID 67449853
3-[3-(3-chloroanilino)-5-methoxyindazol-1-yl]benzaldehyde
CID 25097509
1-[3-(difluoromethoxy)phenyl]-3-methylindazole-5-carbaldehyde;N,3-dimethylthiolan-3-amine;ethane
CID 162359648
8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 118047929
4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
CID 24814953
9-methylcarbazole-2-carbaldehyde
CID 3152662
3-methyl-1-phenylindazol-5-ol
CID 105481865
3-indol-1-ylbenzaldehyde
CID 175205647
9,10-dimethylanthracene-2-carbaldehyde
CID 135149055

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylindazol-1-yl)benzaldehyde?
The IUPAC name of 3-(3-methylindazol-1-yl)benzaldehyde (CID 105497706) is 3-(3-methylindazol-1-yl)benzaldehyde.
What is the SMILES notation for 3-(3-methylindazol-1-yl)benzaldehyde?
The canonical SMILES for 3-(3-methylindazol-1-yl)benzaldehyde is Cc1nn(-c2cccc(C=O)c2)c2ccccc12.
What is the InChIKey of 3-(3-methylindazol-1-yl)benzaldehyde?
The InChIKey is HDRSHOCTJKVAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-14-7-2-3-8-15(14)17(16-11)13-6-4-5-12(9-13)10-18/h2-10H,1H3.
What are the key properties of 3-(3-methylindazol-1-yl)benzaldehyde?
3-(3-methylindazol-1-yl)benzaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylindazol-1-yl)benzaldehyde is sourced from PubChem (CID 105497706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).