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

C9H11F2NO — CID 139461704

IUPAC1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(F)nc1F
InChIInChI=1S/C9H11F2NO/c1-9(2,13)5-6-3-4-7(10)12-8(6)11/h3-4,13H,5H2,1-2H3
InChIKeyRYNDCKKACUMWGP-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.67
Rot. Bonds2

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

1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol (PubChem CID 139461704) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol
PubChem CID139461704
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(F)nc1F
InChIInChI=1S/C9H11F2NO/c1-9(2,13)5-6-3-4-7(10)12-8(6)11/h3-4,13H,5H2,1-2H3
InChIKeyRYNDCKKACUMWGP-UHFFFAOYSA-N
XLogP1.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.67
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)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol (CID 139461704) is 1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(F)nc1F.
What is the InChIKey of 1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol?
The InChIKey is RYNDCKKACUMWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-9(2,13)5-6-3-4-7(10)12-8(6)11/h3-4,13H,5H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol?
1-(2,6-difluoro-3-pyridinyl)-2-methylpropan-2-ol has a molecular weight of 187.19 g/mol, XLogP of 1.67, 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)-2-methylpropan-2-ol is sourced from PubChem (CID 139461704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).