2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol

C8H8BrF2NO — CID 86730297

IUPAC2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol
SMILESCC(O)(c1ccc(Br)cn1)C(F)F
InChIInChI=1S/C8H8BrF2NO/c1-8(13,7(10)11)6-3-2-5(9)4-12-6/h2-4,7,13H,1H3
InChIKeyGZHIHEQOPWEFFV-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.32
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol

2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol (PubChem CID 86730297) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol
PubChem CID86730297
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol
SMILESCC(O)(c1ccc(Br)cn1)C(F)F
InChIInChI=1S/C8H8BrF2NO/c1-8(13,7(10)11)6-3-2-5(9)4-12-6/h2-4,7,13H,1H3
InChIKeyGZHIHEQOPWEFFV-UHFFFAOYSA-N
XLogP2.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol (CID 86730297) is 2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol is CC(O)(c1ccc(Br)cn1)C(F)F.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol?
The InChIKey is GZHIHEQOPWEFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-8(13,7(10)11)6-3-2-5(9)4-12-6/h2-4,7,13H,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol?
2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol has a molecular weight of 252.06 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 86730297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).