6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde

C16H14N2O — CID 5133751

IUPAC6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
SMILESCc1ccc2c(C=O)c(-c3cccnc3)[nH]c2c1C
InChIInChI=1S/C16H14N2O/c1-10-5-6-13-14(9-19)16(18-15(13)11(10)2)12-4-3-7-17-8-12/h3-9,18H,1-2H3
InChIKeyXZACFRIGOHUJJJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.66
Rot. Bonds2

About 6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde

6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde (PubChem CID 5133751) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
PubChem CID5133751
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
SMILESCc1ccc2c(C=O)c(-c3cccnc3)[nH]c2c1C
InChIInChI=1S/C16H14N2O/c1-10-5-6-13-14(9-19)16(18-15(13)11(10)2)12-4-3-7-17-8-12/h3-9,18H,1-2H3
InChIKeyXZACFRIGOHUJJJ-UHFFFAOYSA-N
XLogP3.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde (CID 5133751) is 6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde is Cc1ccc2c(C=O)c(-c3cccnc3)[nH]c2c1C.
What is the InChIKey of 6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The InChIKey is XZACFRIGOHUJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-5-6-13-14(9-19)16(18-15(13)11(10)2)12-4-3-7-17-8-12/h3-9,18H,1-2H3.
What are the key properties of 6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 5133751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).