2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine

C14H12F3NO — CID 58973042

IUPAC2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine
SMILESCOCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H12F3NO/c1-19-9-10-2-4-11(5-3-10)13-7-6-12(8-18-13)14(15,16)17/h2-8H,9H2,1H3
InChIKeyHYALIEFCBDHDCF-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.91
Rot. Bonds3

About 2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine

2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 58973042) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine
PubChem CID58973042
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine
SMILESCOCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H12F3NO/c1-19-9-10-2-4-11(5-3-10)13-7-6-12(8-18-13)14(15,16)17/h2-8H,9H2,1H3
InChIKeyHYALIEFCBDHDCF-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine (CID 58973042) is 2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine is COCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is HYALIEFCBDHDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-19-9-10-2-4-11(5-3-10)13-7-6-12(8-18-13)14(15,16)17/h2-8H,9H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 267.25 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 58973042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).