(3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate

C19H15F2NO2 — CID 155927642

IUPAC(3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate
SMILESO=C(OC(CC(F)F)c1ccc2ccccc2c1)c1ccccn1
InChIInChI=1S/C19H15F2NO2/c20-18(21)12-17(24-19(23)16-7-3-4-10-22-16)15-9-8-13-5-1-2-6-14(13)11-15/h1-11,17-18H,12H2
InChIKeyBVWMCGMWOZTEDV-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.79
Rot. Bonds5

About (3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate

(3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate (PubChem CID 155927642) has the molecular formula C19H15F2NO2 and a molecular weight of 327.33 g/mol. Its IUPAC name is (3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate.

Molecular Properties

Compound Name(3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate
PubChem CID155927642
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Name(3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate
SMILESO=C(OC(CC(F)F)c1ccc2ccccc2c1)c1ccccn1
InChIInChI=1S/C19H15F2NO2/c20-18(21)12-17(24-19(23)16-7-3-4-10-22-16)15-9-8-13-5-1-2-6-14(13)11-15/h1-11,17-18H,12H2
InChIKeyBVWMCGMWOZTEDV-UHFFFAOYSA-N
XLogP4.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate?
The IUPAC name of (3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate (CID 155927642) is (3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate.
What is the SMILES notation for (3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate?
The canonical SMILES for (3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate is O=C(OC(CC(F)F)c1ccc2ccccc2c1)c1ccccn1.
What is the InChIKey of (3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate?
The InChIKey is BVWMCGMWOZTEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2/c20-18(21)12-17(24-19(23)16-7-3-4-10-22-16)15-9-8-13-5-1-2-6-14(13)11-15/h1-11,17-18H,12H2.
What are the key properties of (3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate?
(3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate has a molecular weight of 327.33 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-naphthalen-2-ylpropyl) pyridine-2-carboxylate is sourced from PubChem (CID 155927642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).