2-fluoro-6-pyrrol-1-ylbenzonitrile

C11H7FN2 — CID 2736735

IUPAC2-fluoro-6-pyrrol-1-ylbenzonitrile
SMILESN#Cc1c(F)cccc1-n1cccc1
InChIInChI=1S/C11H7FN2/c12-10-4-3-5-11(9(10)8-13)14-6-1-2-7-14/h1-7H
InChIKeyNPZSWZGYPPDMFS-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.49
Rot. Bonds1

About 2-fluoro-6-pyrrol-1-ylbenzonitrile

2-fluoro-6-pyrrol-1-ylbenzonitrile (PubChem CID 2736735) has the molecular formula C11H7FN2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-fluoro-6-pyrrol-1-ylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-pyrrol-1-ylbenzonitrile
PubChem CID2736735
Molecular FormulaC11H7FN2
Molecular Weight186.19 g/mol
Exact Mass186.06
IUPAC Name2-fluoro-6-pyrrol-1-ylbenzonitrile
SMILESN#Cc1c(F)cccc1-n1cccc1
InChIInChI=1S/C11H7FN2/c12-10-4-3-5-11(9(10)8-13)14-6-1-2-7-14/h1-7H
InChIKeyNPZSWZGYPPDMFS-UHFFFAOYSA-N
XLogP2.49
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-pyrrol-1-ylbenzonitrile?
The IUPAC name of 2-fluoro-6-pyrrol-1-ylbenzonitrile (CID 2736735) is 2-fluoro-6-pyrrol-1-ylbenzonitrile.
What is the SMILES notation for 2-fluoro-6-pyrrol-1-ylbenzonitrile?
The canonical SMILES for 2-fluoro-6-pyrrol-1-ylbenzonitrile is N#Cc1c(F)cccc1-n1cccc1.
What is the InChIKey of 2-fluoro-6-pyrrol-1-ylbenzonitrile?
The InChIKey is NPZSWZGYPPDMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2/c12-10-4-3-5-11(9(10)8-13)14-6-1-2-7-14/h1-7H.
What are the key properties of 2-fluoro-6-pyrrol-1-ylbenzonitrile?
2-fluoro-6-pyrrol-1-ylbenzonitrile has a molecular weight of 186.19 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-pyrrol-1-ylbenzonitrile is sourced from PubChem (CID 2736735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).