6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid

C14H9ClF3NO3 — CID 155146136

IUPAC6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C14H9ClF3NO3/c15-10-6-8(14(16,17)18)4-5-12(10)22-7-9-2-1-3-11(19-9)13(20)21/h1-6H,7H2,(H,20,21)
InChIKeyVPEALDXYZUXRGR-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.03
Rot. Bonds4

About 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid

6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid (PubChem CID 155146136) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
PubChem CID155146136
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Name6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C14H9ClF3NO3/c15-10-6-8(14(16,17)18)4-5-12(10)22-7-9-2-1-3-11(19-9)13(20)21/h1-6H,7H2,(H,20,21)
InChIKeyVPEALDXYZUXRGR-UHFFFAOYSA-N
XLogP4.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid (CID 155146136) is 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The InChIKey is VPEALDXYZUXRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c15-10-6-8(14(16,17)18)4-5-12(10)22-7-9-2-1-3-11(19-9)13(20)21/h1-6H,7H2,(H,20,21).
What are the key properties of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid has a molecular weight of 331.68 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 155146136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).