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

C9H8BrF2NO3 — CID 130084993

IUPAC2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(CBr)c(C(F)F)cc1O
InChIInChI=1S/C9H8BrF2NO3/c10-3-6-4(9(11)12)1-7(14)5(13-6)2-8(15)16/h1,9,14H,2-3H2,(H,15,16)
InChIKeyKQXVTWIWPMRBJZ-UHFFFAOYSA-N
MW296.07 g/mol
LogP2.25
Rot. Bonds4

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

2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid (PubChem CID 130084993) has the molecular formula C9H8BrF2NO3 and a molecular weight of 296.07 g/mol. Its IUPAC name is 2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
PubChem CID130084993
Molecular FormulaC9H8BrF2NO3
Molecular Weight296.07 g/mol
Exact Mass294.97
IUPAC Name2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(CBr)c(C(F)F)cc1O
InChIInChI=1S/C9H8BrF2NO3/c10-3-6-4(9(11)12)1-7(14)5(13-6)2-8(15)16/h1,9,14H,2-3H2,(H,15,16)
InChIKeyKQXVTWIWPMRBJZ-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-(bromomethyl)-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118849600
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
CID 130082625
2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085033
2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130076972
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
2-[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070486
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118826893
2-[6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130097218
2-[5-amino-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107363
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702

Frequently Asked Questions

What is the IUPAC name of 2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid (CID 130084993) is 2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid is O=C(O)Cc1nc(CBr)c(C(F)F)cc1O.
What is the InChIKey of 2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid?
The InChIKey is KQXVTWIWPMRBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO3/c10-3-6-4(9(11)12)1-7(14)5(13-6)2-8(15)16/h1,9,14H,2-3H2,(H,15,16).
What are the key properties of 2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid?
2-[6-(bromomethyl)-5-(difluoromethyl)-3-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-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 130084993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).