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

C16H13ClF3NO3 — CID 155145946

IUPAC6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid
SMILESCCc1cc(COc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1
InChIInChI=1S/C16H13ClF3NO3/c1-2-9-5-11(21-13(6-9)15(22)23)8-24-14-4-3-10(7-12(14)17)16(18,19)20/h3-7H,2,8H2,1H3,(H,22,23)
InChIKeyUNHAKUSQBBXQSU-UHFFFAOYSA-N
MW359.73 g/mol
LogP4.59
Rot. Bonds5

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

6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid (PubChem CID 155145946) has the molecular formula C16H13ClF3NO3 and a molecular weight of 359.73 g/mol. Its IUPAC name is 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid
PubChem CID155145946
Molecular FormulaC16H13ClF3NO3
Molecular Weight359.73 g/mol
Exact Mass359.05
IUPAC Name6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid
SMILESCCc1cc(COc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1
InChIInChI=1S/C16H13ClF3NO3/c1-2-9-5-11(21-13(6-9)15(22)23)8-24-14-4-3-10(7-12(14)17)16(18,19)20/h3-7H,2,8H2,1H3,(H,22,23)
InChIKeyUNHAKUSQBBXQSU-UHFFFAOYSA-N
XLogP4.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.73
LogP ≤ 54.59
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]-4-ethylpyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid (CID 155145946) is 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid is CCc1cc(COc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1.
What is the InChIKey of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid?
The InChIKey is UNHAKUSQBBXQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO3/c1-2-9-5-11(21-13(6-9)15(22)23)8-24-14-4-3-10(7-12(14)17)16(18,19)20/h3-7H,2,8H2,1H3,(H,22,23).
What are the key properties of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid?
6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethylpyridine-2-carboxylic acid has a molecular weight of 359.73 g/mol, XLogP of 4.59, 5 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]-4-ethylpyridine-2-carboxylic acid is sourced from PubChem (CID 155145946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).