2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine

C7H8F3NO — CID 175996814

IUPAC2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine
SMILESCOC1NC=CC=C1C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-12-6-5(7(8,9)10)3-2-4-11-6/h2-4,6,11H,1H3
InChIKeyAUZTYMNJYHOBRC-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.56
Rot. Bonds1

About 2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine

2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 175996814) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID175996814
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine
SMILESCOC1NC=CC=C1C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-12-6-5(7(8,9)10)3-2-4-11-6/h2-4,6,11H,1H3
InChIKeyAUZTYMNJYHOBRC-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine
CID 143898439
2-(difluoromethoxy)-2-fluoro-1H-pyridine
CID 146443817
5-Bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine
CID 146597858
3-Fluoro-2-methoxy-1,2-dihydropyridine
CID 173058082
Ethane;3-ethyl-2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridine
CID 178831360
3-Ethyl-2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridine
CID 178831361
2-Methoxy-4-methyl-1,2-dihydropyridine
CID 22592108
1-(2-methoxy-1,2-dihydropyridin-3-yl)-N-methylmethanamine
CID 139419462
3-(Methoxymethyl)-1,2-dihydropyridine
CID 141952580
2-Methoxy-3-methyl-1,2-dihydropyridine
CID 147499292
2-Methoxy-3-(methoxymethyl)-1,2-dihydropyridine
CID 173058108

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine (CID 175996814) is 2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine is COC1NC=CC=C1C(F)(F)F.
What is the InChIKey of 2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is AUZTYMNJYHOBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-12-6-5(7(8,9)10)3-2-4-11-6/h2-4,6,11H,1H3.
What are the key properties of 2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine?
2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 179.14 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 175996814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).