2-methoxy-3,4-bis(trifluoromethyl)pyridine

C8H5F6NO — CID 133095141

IUPAC2-methoxy-3,4-bis(trifluoromethyl)pyridine
SMILESCOc1nccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c1-16-6-5(8(12,13)14)4(2-3-15-6)7(9,10)11/h2-3H,1H3
InChIKeyAFKRMCIGCVGKFG-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.13
Rot. Bonds1

About 2-methoxy-3,4-bis(trifluoromethyl)pyridine

2-methoxy-3,4-bis(trifluoromethyl)pyridine (PubChem CID 133095141) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-methoxy-3,4-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methoxy-3,4-bis(trifluoromethyl)pyridine
PubChem CID133095141
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name2-methoxy-3,4-bis(trifluoromethyl)pyridine
SMILESCOc1nccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c1-16-6-5(8(12,13)14)4(2-3-15-6)7(9,10)11/h2-3H,1H3
InChIKeyAFKRMCIGCVGKFG-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3-(trifluoromethyl)pyridin-4-amine
CID 118806319
lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol
CID 171038538
2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118704417
2-methoxy-4-(trifluoromethyl)pyridine-3-sulfinic acid
CID 70211705
2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636496
2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 134620714
2-iodo-3-methoxy-4-(trifluoromethyl)pyridine
CID 118704406
2-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 68904963
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098109
(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709642
2-methoxy-6-methyl-3-(trifluoromethyl)pyridine
CID 70661653
4-methoxy-3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
CID 134628418

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-methoxy-3,4-bis(trifluoromethyl)pyridine (CID 133095141) is 2-methoxy-3,4-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methoxy-3,4-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-methoxy-3,4-bis(trifluoromethyl)pyridine is COc1nccc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-methoxy-3,4-bis(trifluoromethyl)pyridine?
The InChIKey is AFKRMCIGCVGKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c1-16-6-5(8(12,13)14)4(2-3-15-6)7(9,10)11/h2-3H,1H3.
What are the key properties of 2-methoxy-3,4-bis(trifluoromethyl)pyridine?
2-methoxy-3,4-bis(trifluoromethyl)pyridine has a molecular weight of 245.12 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 133095141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).