2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol

C14H12F3NO3 — CID 137340116

IUPAC2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol
SMILESCOc1ccc(C)nc1-c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C14H12F3NO3/c1-8-3-6-12(20-2)13(18-8)10-7-9(4-5-11(10)19)21-14(15,16)17/h3-7,19H,1-2H3
InChIKeyYGMQLLZLAYKDQU-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.67
Rot. Bonds3

About 2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol

2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol (PubChem CID 137340116) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol
PubChem CID137340116
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol
SMILESCOc1ccc(C)nc1-c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C14H12F3NO3/c1-8-3-6-12(20-2)13(18-8)10-7-9(4-5-11(10)19)21-14(15,16)17/h3-7,19H,1-2H3
InChIKeyYGMQLLZLAYKDQU-UHFFFAOYSA-N
XLogP3.67
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol
CID 137341422
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
3-methoxy-6-methyl-2-(trifluoromethoxy)pyridine
CID 130093146
[2-methoxy-5-(trifluoromethoxy)phenyl]azanide
CID 158966007
2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
CID 53221067
2-methyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine
CID 162575936
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 26596685
2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol
CID 138385184
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine
CID 143015150

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol (CID 137340116) is 2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol is COc1ccc(C)nc1-c1cc(OC(F)(F)F)ccc1O.
What is the InChIKey of 2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol?
The InChIKey is YGMQLLZLAYKDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3/c1-8-3-6-12(20-2)13(18-8)10-7-9(4-5-11(10)19)21-14(15,16)17/h3-7,19H,1-2H3.
What are the key properties of 2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol?
2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol has a molecular weight of 299.25 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 137340116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).