4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid

C14H6ClF6NO4 — CID 147206874

IUPAC4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(C(F)(F)F)cc1Oc1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C14H6ClF6NO4/c15-8-3-6(26-14(19,20)21)1-2-9(8)25-10-4-11(13(16,17)18)22-5-7(10)12(23)24/h1-5H,(H,23,24)
InChIKeyCELFJPRQADAONA-UHFFFAOYSA-N
MW401.65 g/mol
LogP5.14
Rot. Bonds4

About 4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid

4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 147206874) has the molecular formula C14H6ClF6NO4 and a molecular weight of 401.65 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID147206874
Molecular FormulaC14H6ClF6NO4
Molecular Weight401.65 g/mol
Exact Mass400.99
IUPAC Name4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(C(F)(F)F)cc1Oc1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C14H6ClF6NO4/c15-8-3-6(26-14(19,20)21)1-2-9(8)25-10-4-11(13(16,17)18)22-5-7(10)12(23)24/h1-5H,(H,23,24)
InChIKeyCELFJPRQADAONA-UHFFFAOYSA-N
XLogP5.14
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.65
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 137406753
4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid
CID 137406464
N-(3-carbamoylphenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137406579
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151579165
4-[2-chloro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)aniline
CID 87205815
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151756936
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151376738
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
2-[2-chloro-4-(trifluoromethoxy)phenyl]-2,2-difluoroacetic acid
CID 166132507

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 147206874) is 4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cnc(C(F)(F)F)cc1Oc1ccc(OC(F)(F)F)cc1Cl.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is CELFJPRQADAONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF6NO4/c15-8-3-6(26-14(19,20)21)1-2-9(8)25-10-4-11(13(16,17)18)22-5-7(10)12(23)24/h1-5H,(H,23,24).
What are the key properties of 4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 401.65 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 147206874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).