6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C20H16F2N2O2 — CID 58640753

IUPAC6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C20H16F2N2O2/c1-20(2,18-8-4-6-16(24-18)19(25)26)17-7-3-5-15(23-17)13-10-9-12(21)11-14(13)22/h3-11H,1-2H3,(H,25,26)
InChIKeyUSZMDHDGSJPQPH-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.45
Rot. Bonds4

About 6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 58640753) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
PubChem CID58640753
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C20H16F2N2O2/c1-20(2,18-8-4-6-16(24-18)19(25)26)17-7-3-5-15(23-17)13-10-9-12(21)11-14(13)22/h3-11H,1-2H3,(H,25,26)
InChIKeyUSZMDHDGSJPQPH-UHFFFAOYSA-N
XLogP4.45
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 58640753) is 6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The InChIKey is USZMDHDGSJPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-20(2,18-8-4-6-16(24-18)19(25)26)17-7-3-5-15(23-17)13-10-9-12(21)11-14(13)22/h3-11H,1-2H3,(H,25,26).
What are the key properties of 6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 354.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58640753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).