2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile

C14H12FN3 — CID 2804360

IUPAC2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCCc1ccccn1
InChIInChI=1S/C14H12FN3/c15-13-5-3-6-14(12(13)10-16)18-9-7-11-4-1-2-8-17-11/h1-6,8,18H,7,9H2
InChIKeyYVRWCTBZWMJROU-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.75
Rot. Bonds4

About 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile

2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile (PubChem CID 2804360) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile
PubChem CID2804360
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCCc1ccccn1
InChIInChI=1S/C14H12FN3/c15-13-5-3-6-14(12(13)10-16)18-9-7-11-4-1-2-8-17-11/h1-6,8,18H,7,9H2
InChIKeyYVRWCTBZWMJROU-UHFFFAOYSA-N
XLogP2.75
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile?
The IUPAC name of 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile (CID 2804360) is 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile is N#Cc1c(F)cccc1NCCc1ccccn1.
What is the InChIKey of 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile?
The InChIKey is YVRWCTBZWMJROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-13-5-3-6-14(12(13)10-16)18-9-7-11-4-1-2-8-17-11/h1-6,8,18H,7,9H2.
What are the key properties of 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile?
2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile has a molecular weight of 241.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile is sourced from PubChem (CID 2804360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).