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

C14H9ClF3NO3 — CID 142574278

IUPAC3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCOc1cc(-c2ccc(Cl)c(C(=O)O)n2)ccc1C(F)(F)F
InChIInChI=1S/C14H9ClF3NO3/c1-22-11-6-7(2-3-8(11)14(16,17)18)10-5-4-9(15)12(19-10)13(20)21/h2-6H,1H3,(H,20,21)
InChIKeyRQRBLLHXUIYSIA-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.13
Rot. Bonds3

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

3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 142574278) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is 3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID142574278
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Name3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCOc1cc(-c2ccc(Cl)c(C(=O)O)n2)ccc1C(F)(F)F
InChIInChI=1S/C14H9ClF3NO3/c1-22-11-6-7(2-3-8(11)14(16,17)18)10-5-4-9(15)12(19-10)13(20)21/h2-6H,1H3,(H,20,21)
InChIKeyRQRBLLHXUIYSIA-UHFFFAOYSA-N
XLogP4.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 142574278) is 3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is COc1cc(-c2ccc(Cl)c(C(=O)O)n2)ccc1C(F)(F)F.
What is the InChIKey of 3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is RQRBLLHXUIYSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c1-22-11-6-7(2-3-8(11)14(16,17)18)10-5-4-9(15)12(19-10)13(20)21/h2-6H,1H3,(H,20,21).
What are the key properties of 3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 331.68 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 142574278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).