6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile

C10H8FN3 — CID 69480663

IUPAC6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile
SMILESN#CC1C=CC=CC1(F)n1cccn1
InChIInChI=1S/C10H8FN3/c11-10(14-7-3-6-13-14)5-2-1-4-9(10)8-12/h1-7,9H
InChIKeyUBHSUYFAKILPMV-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.77
Rot. Bonds1

About 6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile

6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile (PubChem CID 69480663) has the molecular formula C10H8FN3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile
PubChem CID69480663
Molecular FormulaC10H8FN3
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile
SMILESN#CC1C=CC=CC1(F)n1cccn1
InChIInChI=1S/C10H8FN3/c11-10(14-7-3-6-13-14)5-2-1-4-9(10)8-12/h1-7,9H
InChIKeyUBHSUYFAKILPMV-UHFFFAOYSA-N
XLogP1.77
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile (CID 69480663) is 6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile is N#CC1C=CC=CC1(F)n1cccn1.
What is the InChIKey of 6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is UBHSUYFAKILPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3/c11-10(14-7-3-6-13-14)5-2-1-4-9(10)8-12/h1-7,9H.
What are the key properties of 6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile?
6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 189.19 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 69480663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).