3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol

C8H7F2NO — CID 169453091

IUPAC3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol
SMILESOCC=Cc1ccc(F)nc1F
InChIInChI=1S/C8H7F2NO/c9-7-4-3-6(2-1-5-12)8(10)11-7/h1-4,12H,5H2
InChIKeyKVUOUGPDMXHSNY-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.37
Rot. Bonds2

About 3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol

3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol (PubChem CID 169453091) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol
PubChem CID169453091
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol
SMILESOCC=Cc1ccc(F)nc1F
InChIInChI=1S/C8H7F2NO/c9-7-4-3-6(2-1-5-12)8(10)11-7/h1-4,12H,5H2
InChIKeyKVUOUGPDMXHSNY-UHFFFAOYSA-N
XLogP1.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol (CID 169453091) is 3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol is OCC=Cc1ccc(F)nc1F.
What is the InChIKey of 3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol?
The InChIKey is KVUOUGPDMXHSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c9-7-4-3-6(2-1-5-12)8(10)11-7/h1-4,12H,5H2.
What are the key properties of 3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol?
3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol has a molecular weight of 171.15 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 169453091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).