2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid

C9H8BrF2NO3 — CID 130085033

IUPAC2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(C(F)F)c(O)cc1CBr
InChIInChI=1S/C9H8BrF2NO3/c10-3-4-1-6(14)8(9(11)12)13-5(4)2-7(15)16/h1,9,14H,2-3H2,(H,15,16)
InChIKeyUIOJNXBROCWPBM-UHFFFAOYSA-N
MW296.07 g/mol
LogP2.25
Rot. Bonds4

About 2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid

2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid (PubChem CID 130085033) has the molecular formula C9H8BrF2NO3 and a molecular weight of 296.07 g/mol. Its IUPAC name is 2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
PubChem CID130085033
Molecular FormulaC9H8BrF2NO3
Molecular Weight296.07 g/mol
Exact Mass294.97
IUPAC Name2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(C(F)F)c(O)cc1CBr
InChIInChI=1S/C9H8BrF2NO3/c10-3-4-1-6(14)8(9(11)12)13-5(4)2-7(15)16/h1,9,14H,2-3H2,(H,15,16)
InChIKeyUIOJNXBROCWPBM-UHFFFAOYSA-N
XLogP2.25
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391
2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 133093449
2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130084993
2-[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070486
2-[5-amino-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107363
2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118843738
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842
2-[4-(bromomethyl)-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075453
2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130070460
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225
5-(bromomethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079432
2-[6-(bromomethyl)-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118849600

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid (CID 130085033) is 2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid is O=C(O)Cc1nc(C(F)F)c(O)cc1CBr.
What is the InChIKey of 2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The InChIKey is UIOJNXBROCWPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO3/c10-3-4-1-6(14)8(9(11)12)13-5(4)2-7(15)16/h1,9,14H,2-3H2,(H,15,16).
What are the key properties of 2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid has a molecular weight of 296.07 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 130085033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).