2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid

C8H6BrF2NO3 — CID 130110518

IUPAC2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(O)cnc(C(F)F)c1Br
InChIInChI=1S/C8H6BrF2NO3/c9-6-3(1-5(14)15)4(13)2-12-7(6)8(10)11/h2,8,13H,1H2,(H,14,15)
InChIKeyABJDOAVHXZMDPR-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.11
Rot. Bonds3

About 2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid

2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid (PubChem CID 130110518) has the molecular formula C8H6BrF2NO3 and a molecular weight of 282.04 g/mol. Its IUPAC name is 2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid
PubChem CID130110518
Molecular FormulaC8H6BrF2NO3
Molecular Weight282.04 g/mol
Exact Mass280.95
IUPAC Name2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(O)cnc(C(F)F)c1Br
InChIInChI=1S/C8H6BrF2NO3/c9-6-3(1-5(14)15)4(13)2-12-7(6)8(10)11/h2,8,13H,1H2,(H,14,15)
InChIKeyABJDOAVHXZMDPR-UHFFFAOYSA-N
XLogP2.11
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-2-(difluoromethyl)-5-iodo-4-pyridinyl]acetic acid
CID 130068464
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetic acid
CID 118829164
2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130108376
2-[5-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070464
2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid
CID 130069517
2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134676275
2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130109840
2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118805144
4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 130110583
2-[5-amino-3-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130107704

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid (CID 130110518) is 2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid is O=C(O)Cc1c(O)cnc(C(F)F)c1Br.
What is the InChIKey of 2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid?
The InChIKey is ABJDOAVHXZMDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO3/c9-6-3(1-5(14)15)4(13)2-12-7(6)8(10)11/h2,8,13H,1H2,(H,14,15).
What are the key properties of 2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid?
2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid has a molecular weight of 282.04 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid is sourced from PubChem (CID 130110518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).