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

C8H8BrF2NO — CID 90343809

IUPAC(2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol
SMILESC[C@@](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/t8-/m1/s1
InChIKeyGZHIHEQOPWEFFV-MRVPVSSYSA-N
MW252.06 g/mol
LogP2.32
Rot. Bonds2

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

(2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol (PubChem CID 90343809) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is (2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol
PubChem CID90343809
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name(2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol
SMILESC[C@@](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/t8-/m1/s1
InChIKeyGZHIHEQOPWEFFV-MRVPVSSYSA-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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Related Compounds

(5-Bromopyridin-2-yl)methanol
CID 5200169
Doxylamine alcohol
CID 86883
4-Hydroxy-4-pyridin-2-yl-cyclohexa-2,5-dienone
CID 482708
(4-Bromopyridin-2-yl)methanol
CID 14761462
2-Methyl-1-(pyridin-2-yl)propan-1-ol
CID 15785876
2,2,2-Trifluoro-1-(pyridin-2-yl)ethan-1-ol
CID 13742926
2-Pyridinemethanol, alpha-ethyl-alpha-methyl-
CID 106761
alpha-Methyl-alpha-(2-phenylethynyl)-2-pyridinemethanol
CID 3043556
2-Pyridinemethanol, alpha-methyl-alpha-(2-phenylethenyl)-, (Z)-
CID 6446243
(5-(Trifluoromethyl)pyridin-2-yl)methanol
CID 3820787
(3-Bromopyridin-2-yl)methanol
CID 14022521
2-(4-Bromopyridin-2-yl)propan-2-ol
CID 22391969

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol?
The IUPAC name of (2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol (CID 90343809) is (2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for (2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for (2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol is C[C@@](O)(c1ccc(Br)cn1)C(F)F.
What is the InChIKey of (2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol?
The InChIKey is GZHIHEQOPWEFFV-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol?
(2R)-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 (2R)-2-(5-bromo-2-pyridinyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 90343809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).