3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde

C13H10N2O — CID 82394891

IUPAC3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde
SMILESCc1cc2c([nH]c3ccccc32)c(C=O)n1
InChIInChI=1S/C13H10N2O/c1-8-6-10-9-4-2-3-5-11(9)15-13(10)12(7-16)14-8/h2-7,15H,1H3
InChIKeyDVOWJWYLQFUIAX-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.84
Rot. Bonds1

About 3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde

3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde (PubChem CID 82394891) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde.

Molecular Properties

Compound Name3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde
PubChem CID82394891
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde
SMILESCc1cc2c([nH]c3ccccc32)c(C=O)n1
InChIInChI=1S/C13H10N2O/c1-8-6-10-9-4-2-3-5-11(9)15-13(10)12(7-16)14-8/h2-7,15H,1H3
InChIKeyDVOWJWYLQFUIAX-UHFFFAOYSA-N
XLogP2.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5H-pyridazino[4,5-b]indole-4-carbaldehyde
CID 96621668
5-methyl-11H-benzo[a]carbazole
CID 6454977
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde
CID 23282236
9H-carbazole-1-carbaldehyde
CID 11745551
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171
1-propyl-9H-carbazole-3-carbaldehyde
CID 174900118
methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272491
3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole
CID 142290502
methyl 1-(4-formylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 141454158
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175123310
9H-carbazole;ethane
CID 91098062

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde?
The IUPAC name of 3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde (CID 82394891) is 3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde.
What is the SMILES notation for 3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde?
The canonical SMILES for 3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde is Cc1cc2c([nH]c3ccccc32)c(C=O)n1.
What is the InChIKey of 3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde?
The InChIKey is DVOWJWYLQFUIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-8-6-10-9-4-2-3-5-11(9)15-13(10)12(7-16)14-8/h2-7,15H,1H3.
What are the key properties of 3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde?
3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde has a molecular weight of 210.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde is sourced from PubChem (CID 82394891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).