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

C15H8ClF3N2O3 — CID 155146083

IUPAC6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid
SMILESN#Cc1cc(COc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1
InChIInChI=1S/C15H8ClF3N2O3/c16-11-5-9(15(17,18)19)1-2-13(11)24-7-10-3-8(6-20)4-12(21-10)14(22)23/h1-5H,7H2,(H,22,23)
InChIKeyCTTDXRFDOVLKLZ-UHFFFAOYSA-N
MW356.69 g/mol
LogP3.90
Rot. Bonds4

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

6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid (PubChem CID 155146083) has the molecular formula C15H8ClF3N2O3 and a molecular weight of 356.69 g/mol. Its IUPAC name is 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid
PubChem CID155146083
Molecular FormulaC15H8ClF3N2O3
Molecular Weight356.69 g/mol
Exact Mass356.02
IUPAC Name6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid
SMILESN#Cc1cc(COc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1
InChIInChI=1S/C15H8ClF3N2O3/c16-11-5-9(15(17,18)19)1-2-13(11)24-7-10-3-8(6-20)4-12(21-10)14(22)23/h1-5H,7H2,(H,22,23)
InChIKeyCTTDXRFDOVLKLZ-UHFFFAOYSA-N
XLogP3.90
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.69
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903314
1-[4-bromo-6-(bromomethyl)-2-pyridinyl]ethanone;1-[4-bromo-6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]ethanone
CID 159200664
3-acetyl-5-(chloromethyl)benzonitrile;3-acetyl-5-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzonitrile;2-chloro-4-(trifluoromethyl)phenol
CID 158894386
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-phenylbenzoic acid
CID 155154013
3-[[2-chloro-4-(trifluoromethoxy)phenoxy]methyl]-5-cyanobenzoic acid
CID 155154132
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
2-[[2-cyano-4-(trifluoromethyl)phenoxy]methyl]-1,3-benzoxazole-6-carboxylic acid
CID 177195162
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-(2-methyl-1,3-oxazol-4-yl)benzoic acid
CID 155154141
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
3-chloro-4-[(2-cyanophenyl)methoxy]benzoic acid
CID 45286796
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid;4-hydroxy-3,5-diiodobenzonitrile
CID 70135487

Frequently Asked Questions

What is the IUPAC name of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid (CID 155146083) is 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid is N#Cc1cc(COc2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1.
What is the InChIKey of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid?
The InChIKey is CTTDXRFDOVLKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O3/c16-11-5-9(15(17,18)19)1-2-13(11)24-7-10-3-8(6-20)4-12(21-10)14(22)23/h1-5H,7H2,(H,22,23).
What are the key properties of 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid?
6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid has a molecular weight of 356.69 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid is sourced from PubChem (CID 155146083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).