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

C13H7ClF3NO3 — CID 29080706

IUPAC3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Oc2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C13H7ClF3NO3/c14-9-5-6-10(18-11(9)12(19)20)21-8-3-1-7(2-4-8)13(15,16)17/h1-6H,(H,19,20)
InChIKeyCTPXHRCFJBVSBZ-UHFFFAOYSA-N
MW317.65 g/mol
LogP4.24
Rot. Bonds3

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

3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid (PubChem CID 29080706) has the molecular formula C13H7ClF3NO3 and a molecular weight of 317.65 g/mol. Its IUPAC name is 3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
PubChem CID29080706
Molecular FormulaC13H7ClF3NO3
Molecular Weight317.65 g/mol
Exact Mass317.01
IUPAC Name3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Oc2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C13H7ClF3NO3/c14-9-5-6-10(18-11(9)12(19)20)21-8-3-1-7(2-4-8)13(15,16)17/h1-6H,(H,19,20)
InChIKeyCTPXHRCFJBVSBZ-UHFFFAOYSA-N
XLogP4.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 63376513
1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
CID 62287891
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine
CID 162220727
2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxylic acid
CID 117189251
6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid
CID 107097920
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
CID 28996663
3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 142574205
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
CID 29286211
3-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 81342000

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid (CID 29080706) is 3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid is O=C(O)c1nc(Oc2ccc(C(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The InChIKey is CTPXHRCFJBVSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO3/c14-9-5-6-10(18-11(9)12(19)20)21-8-3-1-7(2-4-8)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid has a molecular weight of 317.65 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 29080706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).