3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine

C10H11ClF3NO — CID 174313071

IUPAC3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)Oc1ccnc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H11ClF3NO/c1-9(2,3)16-6-4-5-15-8(7(6)11)10(12,13)14/h4-5H,1-3H3
InChIKeyQFBLFSJBQBRQFD-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.93
Rot. Bonds1

About 3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine

3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine (PubChem CID 174313071) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine
PubChem CID174313071
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)Oc1ccnc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H11ClF3NO/c1-9(2,3)16-6-4-5-15-8(7(6)11)10(12,13)14/h4-5H,1-3H3
InChIKeyQFBLFSJBQBRQFD-UHFFFAOYSA-N
XLogP3.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine (CID 174313071) is 3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine is CC(C)(C)Oc1ccnc(C(F)(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine?
The InChIKey is QFBLFSJBQBRQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-9(2,3)16-6-4-5-15-8(7(6)11)10(12,13)14/h4-5H,1-3H3.
What are the key properties of 3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine?
3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine has a molecular weight of 253.65 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 174313071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).