5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

C11H12FN3 — CID 129487722

IUPAC5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@H]2CF)cn1
InChIInChI=1S/C11H12FN3/c12-6-10-2-1-5-15(10)11-4-3-9(7-13)14-8-11/h3-4,8,10H,1-2,5-6H2/t10-/m0/s1
InChIKeyBRYLTRSFCLATMZ-JTQLQIEISA-N
MW205.24 g/mol
LogP1.89
Rot. Bonds2

About 5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 129487722) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID129487722
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@H]2CF)cn1
InChIInChI=1S/C11H12FN3/c12-6-10-2-1-5-15(10)11-4-3-9(7-13)14-8-11/h3-4,8,10H,1-2,5-6H2/t10-/m0/s1
InChIKeyBRYLTRSFCLATMZ-JTQLQIEISA-N
XLogP1.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(6-cyano-3-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 115487257
(2R)-1-(6-cyano-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 99636693
5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 125130980
5-[2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 127909683
5-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 133369874
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 113321436
5-[(3S)-3-(azepan-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 97120528
5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 115490468
2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid
CID 113320477
fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 169148651

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (CID 129487722) is 5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCC[C@H]2CF)cn1.
What is the InChIKey of 5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is BRYLTRSFCLATMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12FN3/c12-6-10-2-1-5-15(10)11-4-3-9(7-13)14-8-11/h3-4,8,10H,1-2,5-6H2/t10-/m0/s1.
What are the key properties of 5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 205.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 129487722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).