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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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).