3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile

C10H9FN2 — CID 155266174

IUPAC3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile
SMILESN#CC1(c2cccnc2)CC(F)C1
InChIInChI=1S/C10H9FN2/c11-9-4-10(5-9,7-12)8-2-1-3-13-6-8/h1-3,6,9H,4-5H2
InChIKeyOMXLEDQKAYSTFX-UHFFFAOYSA-N
MW176.19 g/mol
LogP1.97
Rot. Bonds1

About 3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile

3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile (PubChem CID 155266174) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile
PubChem CID155266174
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile
SMILESN#CC1(c2cccnc2)CC(F)C1
InChIInChI=1S/C10H9FN2/c11-9-4-10(5-9,7-12)8-2-1-3-13-6-8/h1-3,6,9H,4-5H2
InChIKeyOMXLEDQKAYSTFX-UHFFFAOYSA-N
XLogP1.97
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile?
The IUPAC name of 3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile (CID 155266174) is 3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile is N#CC1(c2cccnc2)CC(F)C1.
What is the InChIKey of 3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile?
The InChIKey is OMXLEDQKAYSTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-9-4-10(5-9,7-12)8-2-1-3-13-6-8/h1-3,6,9H,4-5H2.
What are the key properties of 3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile?
3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile has a molecular weight of 176.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 155266174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).