4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid

C16H15ClFNO3 — CID 121251625

IUPAC4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid
SMILESCC(C)COc1cc(F)cc(-c2cc(Cl)c(C(=O)O)cn2)c1
InChIInChI=1S/C16H15ClFNO3/c1-9(2)8-22-12-4-10(3-11(18)5-12)15-6-14(17)13(7-19-15)16(20)21/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyWOUTWEFODKNYNH-UHFFFAOYSA-N
MW323.75 g/mol
LogP4.27
Rot. Bonds5

About 4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid

4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid (PubChem CID 121251625) has the molecular formula C16H15ClFNO3 and a molecular weight of 323.75 g/mol. Its IUPAC name is 4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid
PubChem CID121251625
Molecular FormulaC16H15ClFNO3
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC Name4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid
SMILESCC(C)COc1cc(F)cc(-c2cc(Cl)c(C(=O)O)cn2)c1
InChIInChI=1S/C16H15ClFNO3/c1-9(2)8-22-12-4-10(3-11(18)5-12)15-6-14(17)13(7-19-15)16(20)21/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyWOUTWEFODKNYNH-UHFFFAOYSA-N
XLogP4.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid (CID 121251625) is 4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid is CC(C)COc1cc(F)cc(-c2cc(Cl)c(C(=O)O)cn2)c1.
What is the InChIKey of 4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid?
The InChIKey is WOUTWEFODKNYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3/c1-9(2)8-22-12-4-10(3-11(18)5-12)15-6-14(17)13(7-19-15)16(20)21/h3-7,9H,8H2,1-2H3,(H,20,21).
What are the key properties of 4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid?
4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid has a molecular weight of 323.75 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 121251625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).