2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

C17H14ClF3N4O — CID 58265078

IUPAC2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCC1CN(c2cc(C(F)(F)F)c(C#N)c(Cl)n2)C(c2ccccn2)O1
InChIInChI=1S/C17H14ClF3N4O/c1-2-10-9-25(16(26-10)13-5-3-4-6-23-13)14-7-12(17(19,20)21)11(8-22)15(18)24-14/h3-7,10,16H,2,9H2,1H3
InChIKeyWBWZXMCSXZTBRW-UHFFFAOYSA-N
MW382.77 g/mol
LogP4.33
Rot. Bonds3

About 2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58265078) has the molecular formula C17H14ClF3N4O and a molecular weight of 382.77 g/mol. Its IUPAC name is 2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58265078
Molecular FormulaC17H14ClF3N4O
Molecular Weight382.77 g/mol
Exact Mass382.08
IUPAC Name2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCC1CN(c2cc(C(F)(F)F)c(C#N)c(Cl)n2)C(c2ccccn2)O1
InChIInChI=1S/C17H14ClF3N4O/c1-2-10-9-25(16(26-10)13-5-3-4-6-23-13)14-7-12(17(19,20)21)11(8-22)15(18)24-14/h3-7,10,16H,2,9H2,1H3
InChIKeyWBWZXMCSXZTBRW-UHFFFAOYSA-N
XLogP4.33
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 58265078) is 2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile is CCC1CN(c2cc(C(F)(F)F)c(C#N)c(Cl)n2)C(c2ccccn2)O1.
What is the InChIKey of 2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WBWZXMCSXZTBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O/c1-2-10-9-25(16(26-10)13-5-3-4-6-23-13)14-7-12(17(19,20)21)11(8-22)15(18)24-14/h3-7,10,16H,2,9H2,1H3.
What are the key properties of 2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 382.77 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5-ethyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58265078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).