4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid

C20H15F3N2O3 — CID 162731749

IUPAC4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESCc1c(-c2ccc(C(F)(F)F)nc2)cnc(C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C20H15F3N2O3/c1-12-15(14-7-8-16(24-9-14)20(21,22)23)10-25-17(19(26)27)18(12)28-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,26,27)
InChIKeyOEESCLVVXYZPKX-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.75
Rot. Bonds5

About 4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid

4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 162731749) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
PubChem CID162731749
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESCc1c(-c2ccc(C(F)(F)F)nc2)cnc(C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C20H15F3N2O3/c1-12-15(14-7-8-16(24-9-14)20(21,22)23)10-25-17(19(26)27)18(12)28-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,26,27)
InChIKeyOEESCLVVXYZPKX-UHFFFAOYSA-N
XLogP4.75
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid (CID 162731749) is 4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid is Cc1c(-c2ccc(C(F)(F)F)nc2)cnc(C(=O)O)c1OCc1ccccc1.
What is the InChIKey of 4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is OEESCLVVXYZPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-12-15(14-7-8-16(24-9-14)20(21,22)23)10-25-17(19(26)27)18(12)28-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,26,27).
What are the key properties of 4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 388.35 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenylmethoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 162731749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).