3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid

C9H9F2NO2 — CID 162738245

IUPAC3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1ccc(C(F)F)cn1
InChIInChI=1S/C9H9F2NO2/c10-9(11)6-1-2-7(12-5-6)3-4-8(13)14/h1-2,5,9H,3-4H2,(H,13,14)
InChIKeyFSDUSGFLVOVEGX-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.04
Rot. Bonds4

About 3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid

3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid (PubChem CID 162738245) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid
PubChem CID162738245
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1ccc(C(F)F)cn1
InChIInChI=1S/C9H9F2NO2/c10-9(11)6-1-2-7(12-5-6)3-4-8(13)14/h1-2,5,9H,3-4H2,(H,13,14)
InChIKeyFSDUSGFLVOVEGX-UHFFFAOYSA-N
XLogP2.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid (CID 162738245) is 3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid is O=C(O)CCc1ccc(C(F)F)cn1.
What is the InChIKey of 3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid?
The InChIKey is FSDUSGFLVOVEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-9(11)6-1-2-7(12-5-6)3-4-8(13)14/h1-2,5,9H,3-4H2,(H,13,14).
What are the key properties of 3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid?
3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid has a molecular weight of 201.17 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 162738245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).