2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile

C13H16FN3 — CID 104972838

IUPAC2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCC[C@H]1CCCN1
InChIInChI=1S/C13H16FN3/c14-12-4-1-5-13(11(12)9-15)17-8-6-10-3-2-7-16-10/h1,4-5,10,16-17H,2-3,6-8H2/t10-/m1/s1
InChIKeyICEDBGPITSYOEL-SNVBAGLBSA-N
MW233.29 g/mol
LogP2.25
Rot. Bonds4

About 2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile

2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile (PubChem CID 104972838) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
PubChem CID104972838
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCC[C@H]1CCCN1
InChIInChI=1S/C13H16FN3/c14-12-4-1-5-13(11(12)9-15)17-8-6-10-3-2-7-16-10/h1,4-5,10,16-17H,2-3,6-8H2/t10-/m1/s1
InChIKeyICEDBGPITSYOEL-SNVBAGLBSA-N
XLogP2.25
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(2-pyrrolidin-2-ylethylamino)benzonitrile
CID 114794369
2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210125
2-methylsulfanyl-6-(pyrrolidin-2-ylmethylamino)benzonitrile
CID 113385999
6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile
CID 114794421
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104973065
2-[2-(azepan-1-yl)ethylamino]-6-fluorobenzonitrile
CID 52855451
3-methyl-2-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 107111505
2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile
CID 78988425
2-chloro-6-(piperidin-2-ylmethylamino)benzonitrile
CID 62497677
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2-(difluoromethylsulfonyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973428
2-fluoro-6-(oxan-3-ylmethylamino)benzonitrile
CID 61037918

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile (CID 104972838) is 2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile is N#Cc1c(F)cccc1NCC[C@H]1CCCN1.
What is the InChIKey of 2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile?
The InChIKey is ICEDBGPITSYOEL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16FN3/c14-12-4-1-5-13(11(12)9-15)17-8-6-10-3-2-7-16-10/h1,4-5,10,16-17H,2-3,6-8H2/t10-/m1/s1.
What are the key properties of 2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile?
2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile has a molecular weight of 233.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile is sourced from PubChem (CID 104972838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).