6-pyridin-3-yl-1H-indole-2-carbaldehyde

C14H10N2O — CID 142373013

IUPAC6-pyridin-3-yl-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2ccc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C14H10N2O/c17-9-13-6-11-4-3-10(7-14(11)16-13)12-2-1-5-15-8-12/h1-9,16H
InChIKeyFLOLAVDUBPPUBA-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.04
Rot. Bonds2

About 6-pyridin-3-yl-1H-indole-2-carbaldehyde

6-pyridin-3-yl-1H-indole-2-carbaldehyde (PubChem CID 142373013) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-pyridin-3-yl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name6-pyridin-3-yl-1H-indole-2-carbaldehyde
PubChem CID142373013
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name6-pyridin-3-yl-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2ccc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C14H10N2O/c17-9-13-6-11-4-3-10(7-14(11)16-13)12-2-1-5-15-8-12/h1-9,16H
InChIKeyFLOLAVDUBPPUBA-UHFFFAOYSA-N
XLogP3.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.04
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

Indole-3-Carboxaldehyde
CID 10256
Indoramin
CID 33625
Indole-3-acetamide
CID 397
Indole-4-carboxaldehyde
CID 333703
1H-indole-3-carboxamide
CID 2192542
Indole-5-carboxamide
CID 14973220
FG-7142
CID 4375
Indole-3-acetaldehyde
CID 800
Calothrixin B
CID 9817721
Indole, 3-(dimethylaminoacetyl)-
CID 34863
Tryptamide
CID 65768
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-1H-indole-2-carbaldehyde?
The IUPAC name of 6-pyridin-3-yl-1H-indole-2-carbaldehyde (CID 142373013) is 6-pyridin-3-yl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 6-pyridin-3-yl-1H-indole-2-carbaldehyde?
The canonical SMILES for 6-pyridin-3-yl-1H-indole-2-carbaldehyde is O=Cc1cc2ccc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 6-pyridin-3-yl-1H-indole-2-carbaldehyde?
The InChIKey is FLOLAVDUBPPUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-9-13-6-11-4-3-10(7-14(11)16-13)12-2-1-5-15-8-12/h1-9,16H.
What are the key properties of 6-pyridin-3-yl-1H-indole-2-carbaldehyde?
6-pyridin-3-yl-1H-indole-2-carbaldehyde has a molecular weight of 222.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 142373013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).