ethane;3-methoxy-5-(trifluoromethyl)pyridine

C9H12F3NO — CID 176999703

IUPACethane;3-methoxy-5-(trifluoromethyl)pyridine
SMILESCC.COc1cncc(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO.C2H6/c1-12-6-2-5(3-11-4-6)7(8,9)10;1-2/h2-4H,1H3;1-2H3
InChIKeyRWPHWYUIJGOUSV-UHFFFAOYSA-N
MW207.19 g/mol
LogP3.14
Rot. Bonds1

About ethane;3-methoxy-5-(trifluoromethyl)pyridine

ethane;3-methoxy-5-(trifluoromethyl)pyridine (PubChem CID 176999703) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is ethane;3-methoxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;3-methoxy-5-(trifluoromethyl)pyridine
PubChem CID176999703
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Nameethane;3-methoxy-5-(trifluoromethyl)pyridine
SMILESCC.COc1cncc(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO.C2H6/c1-12-6-2-5(3-11-4-6)7(8,9)10;1-2/h2-4H,1H3;1-2H3
InChIKeyRWPHWYUIJGOUSV-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-5-methoxypyridine
CID 21031507
2-fluoro-2-(5-methoxy-3-pyridinyl)-3,3-dimethylbutan-1-amine
CID 112566577
3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine
CID 139548397
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol
CID 167499349
3-methoxy-5-(2-methylhexan-2-yl)pyridine
CID 130238683
5-(trifluoromethyl)pyridine-3-thiolate
CID 165348790
3-(2-bromoethyl)-5-methoxypyridine
CID 22037882
3-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine
CID 134627152
[(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105329743
4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole
CID 158108399
CID 123329918
CID 123329918

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-5-(trifluoromethyl)pyridine?
The IUPAC name of ethane;3-methoxy-5-(trifluoromethyl)pyridine (CID 176999703) is ethane;3-methoxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;3-methoxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;3-methoxy-5-(trifluoromethyl)pyridine is CC.COc1cncc(C(F)(F)F)c1.
What is the InChIKey of ethane;3-methoxy-5-(trifluoromethyl)pyridine?
The InChIKey is RWPHWYUIJGOUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.C2H6/c1-12-6-2-5(3-11-4-6)7(8,9)10;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;3-methoxy-5-(trifluoromethyl)pyridine?
ethane;3-methoxy-5-(trifluoromethyl)pyridine has a molecular weight of 207.19 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 176999703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).