2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C10H8F3N3 — CID 126779013

IUPAC2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCC1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)8-3-2-7(6-14)9(15-8)16-4-1-5-16/h2-3H,1,4-5H2
InChIKeyDNHBPNABCRMRLT-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.18
Rot. Bonds1

About 2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 126779013) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID126779013
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCC1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)8-3-2-7(6-14)9(15-8)16-4-1-5-16/h2-3H,1,4-5H2
InChIKeyDNHBPNABCRMRLT-UHFFFAOYSA-N
XLogP2.18
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 10244167
2-(4-hydroxy-4-methylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 107404487
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 102846577
6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 58873364
2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133381233
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873588
2-(3,4-dimethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79035367
2-(3-aminopyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876947
2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115305660
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78089600
2-(2,6-dimethylthiomorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79034216
2-[(3S,4S)-3-tert-butyl-4-hydroxypyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 70672877

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 126779013) is 2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is DNHBPNABCRMRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)8-3-2-7(6-14)9(15-8)16-4-1-5-16/h2-3H,1,4-5H2.
What are the key properties of 2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 227.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 126779013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).