2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid

C10H10BrF2NO2 — CID 130090297

IUPAC2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
SMILESCc1c(CBr)cnc(C(F)F)c1CC(=O)O
InChIInChI=1S/C10H10BrF2NO2/c1-5-6(3-11)4-14-9(10(12)13)7(5)2-8(15)16/h4,10H,2-3H2,1H3,(H,15,16)
InChIKeyPMBYKVDKKNOWRZ-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.85
Rot. Bonds4

About 2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid

2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid (PubChem CID 130090297) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is 2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
PubChem CID130090297
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Name2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
SMILESCc1c(CBr)cnc(C(F)F)c1CC(=O)O
InChIInChI=1S/C10H10BrF2NO2/c1-5-6(3-11)4-14-9(10(12)13)7(5)2-8(15)16/h4,10H,2-3H2,1H3,(H,15,16)
InChIKeyPMBYKVDKKNOWRZ-UHFFFAOYSA-N
XLogP2.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(bromomethyl)-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090266
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
5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine
CID 130101296
2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 134663918
5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
CID 130086035
2-[6-(difluoromethyl)-5-methoxy-4-methyl-3-pyridinyl]acetic acid
CID 118837312
ethyl 2-[5-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134686280
2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetic acid
CID 118829164
2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid
CID 130110518
2-[5-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101306

Frequently Asked Questions

What is the IUPAC name of 2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid (CID 130090297) is 2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid is Cc1c(CBr)cnc(C(F)F)c1CC(=O)O.
What is the InChIKey of 2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid?
The InChIKey is PMBYKVDKKNOWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-5-6(3-11)4-14-9(10(12)13)7(5)2-8(15)16/h4,10H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid?
2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid has a molecular weight of 294.10 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 130090297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).