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

C14H9FN2O — CID 3753666

IUPAC7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cccnc2)[nH]c2c(F)cccc12
InChIInChI=1S/C14H9FN2O/c15-12-5-1-4-10-11(8-18)13(17-14(10)12)9-3-2-6-16-7-9/h1-8,17H
InChIKeyKBWTZIKGIPYAAL-UHFFFAOYSA-N
MW240.24 g/mol
LogP3.18
Rot. Bonds2

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

7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde (PubChem CID 3753666) has the molecular formula C14H9FN2O and a molecular weight of 240.24 g/mol. Its IUPAC name is 7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde
PubChem CID3753666
Molecular FormulaC14H9FN2O
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cccnc2)[nH]c2c(F)cccc12
InChIInChI=1S/C14H9FN2O/c15-12-5-1-4-10-11(8-18)13(17-14(10)12)9-3-2-6-16-7-9/h1-8,17H
InChIKeyKBWTZIKGIPYAAL-UHFFFAOYSA-N
XLogP3.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 53.18
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

7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3762825
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
6,7-dimethyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 5133751
7-fluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3810268
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216
5-propan-2-yl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3516645
2-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4640981
2-phenyl-1H-pyrrolo[2,3-f]isoquinoline-3-carbaldehyde
CID 86640250
2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3611207
5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde
CID 3764399
2-tert-butyl-7-fluoro-1H-indole-3-carbaldehyde
CID 5131331
5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3730627

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde (CID 3753666) is 7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde is O=Cc1c(-c2cccnc2)[nH]c2c(F)cccc12.
What is the InChIKey of 7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The InChIKey is KBWTZIKGIPYAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O/c15-12-5-1-4-10-11(8-18)13(17-14(10)12)9-3-2-6-16-7-9/h1-8,17H.
What are the key properties of 7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde?
7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde has a molecular weight of 240.24 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3753666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).