(2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine

C19H19F3N2O2 — CID 171553253

IUPAC(2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine
SMILESC=C/C(C(=C)C)=C1\C=C(Oc2ncccc2OCC(F)(F)F)C=CN1C
InChIInChI=1S/C19H19F3N2O2/c1-5-15(13(2)3)16-11-14(8-10-24(16)4)26-18-17(7-6-9-23-18)25-12-19(20,21)22/h5-11H,1-2,12H2,3-4H3/b16-15-
InChIKeyXHTBAMATIABEPR-NXVVXOECSA-N
MW364.37 g/mol
LogP4.76
Rot. Bonds6

About (2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine

(2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine (PubChem CID 171553253) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is (2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name(2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine
PubChem CID171553253
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name(2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine
SMILESC=C/C(C(=C)C)=C1\C=C(Oc2ncccc2OCC(F)(F)F)C=CN1C
InChIInChI=1S/C19H19F3N2O2/c1-5-15(13(2)3)16-11-14(8-10-24(16)4)26-18-17(7-6-9-23-18)25-12-19(20,21)22/h5-11H,1-2,12H2,3-4H3/b16-15-
InChIKeyXHTBAMATIABEPR-NXVVXOECSA-N
XLogP4.76
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912924
6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 177252850
2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine
CID 167245617
methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912949
3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine
CID 164741273
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide
CID 154856649
6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide
CID 177252901
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
(2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 71974411
3-chloro-N-(4-methyl-1,1-dioxothian-4-yl)-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553236
3-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553201

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine?
The IUPAC name of (2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine (CID 171553253) is (2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for (2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine?
The canonical SMILES for (2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine is C=C/C(C(=C)C)=C1\C=C(Oc2ncccc2OCC(F)(F)F)C=CN1C.
What is the InChIKey of (2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine?
The InChIKey is XHTBAMATIABEPR-NXVVXOECSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-5-15(13(2)3)16-11-14(8-10-24(16)4)26-18-17(7-6-9-23-18)25-12-19(20,21)22/h5-11H,1-2,12H2,3-4H3/b16-15-.
What are the key properties of (2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine?
(2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine has a molecular weight of 364.37 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 171553253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).