6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C19H15F2N3O2 — CID 58444383

IUPAC6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C19H15F2N3O2/c1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21/h3-10H,1-2H3,(H,25,26)
InChIKeyBDPJLKUEKUJTSS-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.84
Rot. Bonds4

About 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 58444383) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
PubChem CID58444383
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C19H15F2N3O2/c1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21/h3-10H,1-2H3,(H,25,26)
InChIKeyBDPJLKUEKUJTSS-UHFFFAOYSA-N
XLogP3.84
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 58444383) is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The InChIKey is BDPJLKUEKUJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21/h3-10H,1-2H3,(H,25,26).
What are the key properties of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 355.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58444383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).