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

C16H12ClF3N4O — CID 58265082

IUPAC2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1COC(c2ccccn2)N1c1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIInChI=1S/C16H12ClF3N4O/c1-9-8-25-15(12-4-2-3-5-22-12)24(9)13-6-11(16(18,19)20)10(7-21)14(17)23-13/h2-6,9,15H,8H2,1H3
InChIKeyKHECSUYPNPUJHH-UHFFFAOYSA-N
MW368.75 g/mol
LogP3.94
Rot. Bonds2

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

2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58265082) has the molecular formula C16H12ClF3N4O and a molecular weight of 368.75 g/mol. Its IUPAC name is 2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58265082
Molecular FormulaC16H12ClF3N4O
Molecular Weight368.75 g/mol
Exact Mass368.07
IUPAC Name2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1COC(c2ccccn2)N1c1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIInChI=1S/C16H12ClF3N4O/c1-9-8-25-15(12-4-2-3-5-22-12)24(9)13-6-11(16(18,19)20)10(7-21)14(17)23-13/h2-6,9,15H,8H2,1H3
InChIKeyKHECSUYPNPUJHH-UHFFFAOYSA-N
XLogP3.94
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.75
LogP ≤ 53.94
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-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 58265082) is 2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile is CC1COC(c2ccccn2)N1c1cc(C(F)(F)F)c(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is KHECSUYPNPUJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O/c1-9-8-25-15(12-4-2-3-5-22-12)24(9)13-6-11(16(18,19)20)10(7-21)14(17)23-13/h2-6,9,15H,8H2,1H3.
What are the key properties of 2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 368.75 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58265082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).