4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine

C11H14F3N3O — CID 146287774

IUPAC4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1cc(CN2CCNC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c1-18-10-5-8(6-17-3-2-15-7-17)4-9(16-10)11(12,13)14/h4-5,15H,2-3,6-7H2,1H3
InChIKeyKHNXRDINYQPSBK-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.47
Rot. Bonds3

About 4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine

4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine (PubChem CID 146287774) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine
PubChem CID146287774
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1cc(CN2CCNC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c1-18-10-5-8(6-17-3-2-15-7-17)4-9(16-10)11(12,13)14/h4-5,15H,2-3,6-7H2,1H3
InChIKeyKHNXRDINYQPSBK-UHFFFAOYSA-N
XLogP1.47
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine (CID 146287774) is 4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine is COc1cc(CN2CCNC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
The InChIKey is KHNXRDINYQPSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-18-10-5-8(6-17-3-2-15-7-17)4-9(16-10)11(12,13)14/h4-5,15H,2-3,6-7H2,1H3.
What are the key properties of 4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine has a molecular weight of 261.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazolidin-1-ylmethyl)-2-methoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 146287774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).