6-fluoro-1-(pyridin-4-ylmethyl)indole

C14H11FN2 — CID 116619843

IUPAC6-fluoro-1-(pyridin-4-ylmethyl)indole
SMILESFc1ccc2ccn(Cc3ccncc3)c2c1
InChIInChI=1S/C14H11FN2/c15-13-2-1-12-5-8-17(14(12)9-13)10-11-3-6-16-7-4-11/h1-9H,10H2
InChIKeyDUMHNEJUCBTUNX-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.22
Rot. Bonds2

About 6-fluoro-1-(pyridin-4-ylmethyl)indole

6-fluoro-1-(pyridin-4-ylmethyl)indole (PubChem CID 116619843) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 6-fluoro-1-(pyridin-4-ylmethyl)indole.

Molecular Properties

Compound Name6-fluoro-1-(pyridin-4-ylmethyl)indole
PubChem CID116619843
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name6-fluoro-1-(pyridin-4-ylmethyl)indole
SMILESFc1ccc2ccn(Cc3ccncc3)c2c1
InChIInChI=1S/C14H11FN2/c15-13-2-1-12-5-8-17(14(12)9-13)10-11-3-6-16-7-4-11/h1-9H,10H2
InChIKeyDUMHNEJUCBTUNX-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(pyridin-4-ylmethyl)indole?
The IUPAC name of 6-fluoro-1-(pyridin-4-ylmethyl)indole (CID 116619843) is 6-fluoro-1-(pyridin-4-ylmethyl)indole.
What is the SMILES notation for 6-fluoro-1-(pyridin-4-ylmethyl)indole?
The canonical SMILES for 6-fluoro-1-(pyridin-4-ylmethyl)indole is Fc1ccc2ccn(Cc3ccncc3)c2c1.
What is the InChIKey of 6-fluoro-1-(pyridin-4-ylmethyl)indole?
The InChIKey is DUMHNEJUCBTUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-13-2-1-12-5-8-17(14(12)9-13)10-11-3-6-16-7-4-11/h1-9H,10H2.
What are the key properties of 6-fluoro-1-(pyridin-4-ylmethyl)indole?
6-fluoro-1-(pyridin-4-ylmethyl)indole has a molecular weight of 226.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(pyridin-4-ylmethyl)indole is sourced from PubChem (CID 116619843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).