6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde

C15H11ClN2O — CID 3786760

IUPAC6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
SMILESCc1c(Cl)ccc2c(C=O)c(-c3ccncc3)[nH]c12
InChIInChI=1S/C15H11ClN2O/c1-9-13(16)3-2-11-12(8-19)15(18-14(9)11)10-4-6-17-7-5-10/h2-8,18H,1H3
InChIKeyJJXTUPGAMHOUPM-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.00
Rot. Bonds2

About 6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde

6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde (PubChem CID 3786760) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
PubChem CID3786760
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
SMILESCc1c(Cl)ccc2c(C=O)c(-c3ccncc3)[nH]c12
InChIInChI=1S/C15H11ClN2O/c1-9-13(16)3-2-11-12(8-19)15(18-14(9)11)10-4-6-17-7-5-10/h2-8,18H,1H3
InChIKeyJJXTUPGAMHOUPM-UHFFFAOYSA-N
XLogP4.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.00
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-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde (CID 3786760) is 6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde is Cc1c(Cl)ccc2c(C=O)c(-c3ccncc3)[nH]c12.
What is the InChIKey of 6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde?
The InChIKey is JJXTUPGAMHOUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-9-13(16)3-2-11-12(8-19)15(18-14(9)11)10-4-6-17-7-5-10/h2-8,18H,1H3.
What are the key properties of 6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde?
6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde has a molecular weight of 270.72 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3786760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).