6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile

C14H13FN2O — CID 169235811

IUPAC6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile
SMILESCC(OC1=CC=C(F)CC1)c1ccc(C#N)cn1
InChIInChI=1S/C14H13FN2O/c1-10(14-7-2-11(8-16)9-17-14)18-13-5-3-12(15)4-6-13/h2-3,5,7,9-10H,4,6H2,1H3
InChIKeySSZXPFRHTKFEQX-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.56
Rot. Bonds3

About 6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile

6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile (PubChem CID 169235811) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile
PubChem CID169235811
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile
SMILESCC(OC1=CC=C(F)CC1)c1ccc(C#N)cn1
InChIInChI=1S/C14H13FN2O/c1-10(14-7-2-11(8-16)9-17-14)18-13-5-3-12(15)4-6-13/h2-3,5,7,9-10H,4,6H2,1H3
InChIKeySSZXPFRHTKFEQX-UHFFFAOYSA-N
XLogP3.56
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile (CID 169235811) is 6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile is CC(OC1=CC=C(F)CC1)c1ccc(C#N)cn1.
What is the InChIKey of 6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile?
The InChIKey is SSZXPFRHTKFEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10(14-7-2-11(8-16)9-17-14)18-13-5-3-12(15)4-6-13/h2-3,5,7,9-10H,4,6H2,1H3.
What are the key properties of 6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile?
6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile has a molecular weight of 244.27 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorocyclohexa-1,3-dien-1-yl)oxyethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 169235811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).