1-(2,6-difluoro-3-pyridinyl)propan-1-ol

C8H9F2NO — CID 53413971

IUPAC1-(2,6-difluoro-3-pyridinyl)propan-1-ol
SMILESCCC(O)c1ccc(F)nc1F
InChIInChI=1S/C8H9F2NO/c1-2-6(12)5-3-4-7(9)11-8(5)10/h3-4,6,12H,2H2,1H3
InChIKeyYVCDPMPCZQWJFV-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.80
Rot. Bonds2

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

1-(2,6-difluoro-3-pyridinyl)propan-1-ol (PubChem CID 53413971) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-pyridinyl)propan-1-ol
PubChem CID53413971
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name1-(2,6-difluoro-3-pyridinyl)propan-1-ol
SMILESCCC(O)c1ccc(F)nc1F
InChIInChI=1S/C8H9F2NO/c1-2-6(12)5-3-4-7(9)11-8(5)10/h3-4,6,12H,2H2,1H3
InChIKeyYVCDPMPCZQWJFV-UHFFFAOYSA-N
XLogP1.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.80
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 1-(2,6-difluoro-3-pyridinyl)propan-1-ol?
The IUPAC name of 1-(2,6-difluoro-3-pyridinyl)propan-1-ol (CID 53413971) is 1-(2,6-difluoro-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-(2,6-difluoro-3-pyridinyl)propan-1-ol?
The canonical SMILES for 1-(2,6-difluoro-3-pyridinyl)propan-1-ol is CCC(O)c1ccc(F)nc1F.
What is the InChIKey of 1-(2,6-difluoro-3-pyridinyl)propan-1-ol?
The InChIKey is YVCDPMPCZQWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-2-6(12)5-3-4-7(9)11-8(5)10/h3-4,6,12H,2H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-pyridinyl)propan-1-ol?
1-(2,6-difluoro-3-pyridinyl)propan-1-ol has a molecular weight of 173.16 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 53413971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).