2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine

C13H11F3N2O2 — CID 59737829

IUPAC2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine
SMILESCOCOc1ccc(-c2ncccc2C(F)(F)F)nc1
InChIInChI=1S/C13H11F3N2O2/c1-19-8-20-9-4-5-11(18-7-9)12-10(13(14,15)16)3-2-6-17-12/h2-7H,8H2,1H3
InChIKeyXKMVCCDBQXOFAO-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.15
Rot. Bonds4

About 2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine

2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine (PubChem CID 59737829) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine
PubChem CID59737829
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine
SMILESCOCOc1ccc(-c2ncccc2C(F)(F)F)nc1
InChIInChI=1S/C13H11F3N2O2/c1-19-8-20-9-4-5-11(18-7-9)12-10(13(14,15)16)3-2-6-17-12/h2-7H,8H2,1H3
InChIKeyXKMVCCDBQXOFAO-UHFFFAOYSA-N
XLogP3.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
CID 134166732
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine
CID 134166728
2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine
CID 162588321
5-(2-methoxyethoxy)-2-pyridin-2-ylpyridine
CID 137419223
1,4-bis(methoxymethoxy)benzene
CID 542643
1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone
CID 172850799
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate
CID 175983977
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030168
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine (CID 59737829) is 2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine is COCOc1ccc(-c2ncccc2C(F)(F)F)nc1.
What is the InChIKey of 2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine?
The InChIKey is XKMVCCDBQXOFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-19-8-20-9-4-5-11(18-7-9)12-10(13(14,15)16)3-2-6-17-12/h2-7H,8H2,1H3.
What are the key properties of 2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine?
2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine has a molecular weight of 284.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 59737829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).