(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid

C16H12F3NO3 — CID 170873343

IUPAC(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
SMILESC/C(=C\c1ccc(Oc2cccc(C(F)(F)F)c2)nc1)C(=O)O
InChIInChI=1S/C16H12F3NO3/c1-10(15(21)22)7-11-5-6-14(20-9-11)23-13-4-2-3-12(8-13)16(17,18)19/h2-9H,1H3,(H,21,22)/b10-7+
InChIKeyWVZMQSZZHYVBBN-JXMROGBWSA-N
MW323.27 g/mol
LogP4.38
Rot. Bonds4

About (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid

(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid (PubChem CID 170873343) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
PubChem CID170873343
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Name(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
SMILESC/C(=C\c1ccc(Oc2cccc(C(F)(F)F)c2)nc1)C(=O)O
InChIInChI=1S/C16H12F3NO3/c1-10(15(21)22)7-11-5-6-14(20-9-11)23-13-4-2-3-12(8-13)16(17,18)19/h2-9H,1H3,(H,21,22)/b10-7+
InChIKeyWVZMQSZZHYVBBN-JXMROGBWSA-N
XLogP4.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid
CID 2814195
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol
CID 170875003
1-[4-(1,1-difluoropropylsulfanyl)phenyl]-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
CID 178016657
N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
CID 100689832
2-[hydroxy-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylidene]cyclohexane-1,3-dione
CID 171714296
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
CID 15790812
(E)-3-[6-[3-(dimethylamino)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 80638679
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid (CID 170873343) is (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid is C/C(=C\c1ccc(Oc2cccc(C(F)(F)F)c2)nc1)C(=O)O.
What is the InChIKey of (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid?
The InChIKey is WVZMQSZZHYVBBN-JXMROGBWSA-N. The full InChI is InChI=1S/C16H12F3NO3/c1-10(15(21)22)7-11-5-6-14(20-9-11)23-13-4-2-3-12(8-13)16(17,18)19/h2-9H,1H3,(H,21,22)/b10-7+.
What are the key properties of (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid?
(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid has a molecular weight of 323.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 170873343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).