2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile

C14H12FN3 — CID 113295538

IUPAC2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile
SMILESCC(Nc1ccc(C#N)c(F)c1)c1ccccn1
InChIInChI=1S/C14H12FN3/c1-10(14-4-2-3-7-17-14)18-12-6-5-11(9-16)13(15)8-12/h2-8,10,18H,1H3
InChIKeyHAIIETHCUKPWOD-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.27
Rot. Bonds3

About 2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile

2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile (PubChem CID 113295538) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile
PubChem CID113295538
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile
SMILESCC(Nc1ccc(C#N)c(F)c1)c1ccccn1
InChIInChI=1S/C14H12FN3/c1-10(14-4-2-3-7-17-14)18-12-6-5-11(9-16)13(15)8-12/h2-8,10,18H,1H3
InChIKeyHAIIETHCUKPWOD-UHFFFAOYSA-N
XLogP3.27
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
3-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113354964
3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile
CID 102815363
2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965983
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788261
N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
4-(butan-2-ylamino)-2-fluorobenzonitrile
CID 115366955
3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 60929772
5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile
CID 24779787
1-(3-chloro-4-cyanophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 94775392
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile?
The IUPAC name of 2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile (CID 113295538) is 2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile?
The canonical SMILES for 2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile is CC(Nc1ccc(C#N)c(F)c1)c1ccccn1.
What is the InChIKey of 2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile?
The InChIKey is HAIIETHCUKPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-10(14-4-2-3-7-17-14)18-12-6-5-11(9-16)13(15)8-12/h2-8,10,18H,1H3.
What are the key properties of 2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile?
2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile has a molecular weight of 241.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile is sourced from PubChem (CID 113295538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).