3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile

C16H10FN3 — CID 10171512

IUPAC3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-n2ccc(-c3ccccn3)c2)c1
InChIInChI=1S/C16H10FN3/c17-14-7-12(10-18)8-15(9-14)20-6-4-13(11-20)16-3-1-2-5-19-16/h1-9,11H
InChIKeyRTGAWASZLVQIDL-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.55
Rot. Bonds2

About 3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile

3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile (PubChem CID 10171512) has the molecular formula C16H10FN3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile
PubChem CID10171512
Molecular FormulaC16H10FN3
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-n2ccc(-c3ccccn3)c2)c1
InChIInChI=1S/C16H10FN3/c17-14-7-12(10-18)8-15(9-14)20-6-4-13(11-20)16-3-1-2-5-19-16/h1-9,11H
InChIKeyRTGAWASZLVQIDL-UHFFFAOYSA-N
XLogP3.55
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile (CID 10171512) is 3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile is N#Cc1cc(F)cc(-n2ccc(-c3ccccn3)c2)c1.
What is the InChIKey of 3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile?
The InChIKey is RTGAWASZLVQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3/c17-14-7-12(10-18)8-15(9-14)20-6-4-13(11-20)16-3-1-2-5-19-16/h1-9,11H.
What are the key properties of 3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile?
3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile has a molecular weight of 263.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-pyridin-2-ylpyrrol-1-yl)benzonitrile is sourced from PubChem (CID 10171512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).