4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid

C19H13ClFNO3 — CID 24755591

IUPAC4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2cc(Oc3ccccc3Cl)c(C(=O)O)cn2)cc1F
InChIInChI=1S/C19H13ClFNO3/c1-11-6-7-12(8-15(11)21)16-9-18(13(10-22-16)19(23)24)25-17-5-3-2-4-14(17)20/h2-10H,1H3,(H,23,24)
InChIKeyLXMYUNPUGARHJT-UHFFFAOYSA-N
MW357.77 g/mol
LogP5.34
Rot. Bonds4

About 4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid

4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 24755591) has the molecular formula C19H13ClFNO3 and a molecular weight of 357.77 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid
PubChem CID24755591
Molecular FormulaC19H13ClFNO3
Molecular Weight357.77 g/mol
Exact Mass357.06
IUPAC Name4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2cc(Oc3ccccc3Cl)c(C(=O)O)cn2)cc1F
InChIInChI=1S/C19H13ClFNO3/c1-11-6-7-12(8-15(11)21)16-9-18(13(10-22-16)19(23)24)25-17-5-3-2-4-14(17)20/h2-10H,1H3,(H,23,24)
InChIKeyLXMYUNPUGARHJT-UHFFFAOYSA-N
XLogP5.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.77
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid (CID 24755591) is 4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid is Cc1ccc(-c2cc(Oc3ccccc3Cl)c(C(=O)O)cn2)cc1F.
What is the InChIKey of 4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is LXMYUNPUGARHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO3/c1-11-6-7-12(8-15(11)21)16-9-18(13(10-22-16)19(23)24)25-17-5-3-2-4-14(17)20/h2-10H,1H3,(H,23,24).
What are the key properties of 4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid?
4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 357.77 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 24755591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).