7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde

C15H12N2O — CID 3762825

IUPAC7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
SMILESCc1cccc2c(C=O)c(-c3cccnc3)[nH]c12
InChIInChI=1S/C15H12N2O/c1-10-4-2-6-12-13(9-18)15(17-14(10)12)11-5-3-7-16-8-11/h2-9,17H,1H3
InChIKeyKRIDMQZLRGHYHU-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.35
Rot. Bonds2

About 7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde

7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde (PubChem CID 3762825) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
PubChem CID3762825
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
SMILESCc1cccc2c(C=O)c(-c3cccnc3)[nH]c12
InChIInChI=1S/C15H12N2O/c1-10-4-2-6-12-13(9-18)15(17-14(10)12)11-5-3-7-16-8-11/h2-9,17H,1H3
InChIKeyKRIDMQZLRGHYHU-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.35
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

6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 5133751
7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3753666
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3799575
5-propan-2-yl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3516645
4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 5160195
2-(2,3-difluorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 87405106
2-phenyl-1H-pyrrolo[2,3-f]isoquinoline-3-carbaldehyde
CID 86640250
2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84699413
7-bromo-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3707211
7-fluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3810268
2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4640981

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde (CID 3762825) is 7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde is Cc1cccc2c(C=O)c(-c3cccnc3)[nH]c12.
What is the InChIKey of 7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The InChIKey is KRIDMQZLRGHYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-4-2-6-12-13(9-18)15(17-14(10)12)11-5-3-7-16-8-11/h2-9,17H,1H3.
What are the key properties of 7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3762825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).