3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid

C17H10F2N2O2 — CID 141328306

IUPAC3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccc(F)c(F)c1-c1ccccn1
InChIInChI=1S/C17H10F2N2O2/c18-12-7-6-10(11-4-3-9-21-16(11)17(22)23)14(15(12)19)13-5-1-2-8-20-13/h1-9H,(H,22,23)
InChIKeyCEQLNYZMMILELT-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.79
Rot. Bonds3

About 3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid

3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid (PubChem CID 141328306) has the molecular formula C17H10F2N2O2 and a molecular weight of 312.28 g/mol. Its IUPAC name is 3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid
PubChem CID141328306
Molecular FormulaC17H10F2N2O2
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccc(F)c(F)c1-c1ccccn1
InChIInChI=1S/C17H10F2N2O2/c18-12-7-6-10(11-4-3-9-21-16(11)17(22)23)14(15(12)19)13-5-1-2-8-20-13/h1-9H,(H,22,23)
InChIKeyCEQLNYZMMILELT-UHFFFAOYSA-N
XLogP3.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid (CID 141328306) is 3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1ccc(F)c(F)c1-c1ccccn1.
What is the InChIKey of 3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid?
The InChIKey is CEQLNYZMMILELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2O2/c18-12-7-6-10(11-4-3-9-21-16(11)17(22)23)14(15(12)19)13-5-1-2-8-20-13/h1-9H,(H,22,23).
What are the key properties of 3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid?
3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid has a molecular weight of 312.28 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 141328306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).