2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid

C9H8BrF2NO2 — CID 130069504

IUPAC2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
SMILESCc1ncc(CC(=O)O)c(C(F)F)c1Br
InChIInChI=1S/C9H8BrF2NO2/c1-4-8(10)7(9(11)12)5(3-13-4)2-6(14)15/h3,9H,2H2,1H3,(H,14,15)
InChIKeyZFVFZNAAZLNNQI-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.72
Rot. Bonds3

About 2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid

2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid (PubChem CID 130069504) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
PubChem CID130069504
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Name2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
SMILESCc1ncc(CC(=O)O)c(C(F)F)c1Br
InChIInChI=1S/C9H8BrF2NO2/c1-4-8(10)7(9(11)12)5(3-13-4)2-6(14)15/h3,9H,2H2,1H3,(H,14,15)
InChIKeyZFVFZNAAZLNNQI-UHFFFAOYSA-N
XLogP2.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130074453
2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 130090617
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098
2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118997990
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
2-[4-bromo-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 130068481
3,5-dibromo-4-(difluoromethyl)-2-methylpyridine
CID 130098940
2-[6-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetic acid
CID 119011277
2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetic acid
CID 118999569
[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130069153
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid (CID 130069504) is 2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid is Cc1ncc(CC(=O)O)c(C(F)F)c1Br.
What is the InChIKey of 2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid?
The InChIKey is ZFVFZNAAZLNNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-4-8(10)7(9(11)12)5(3-13-4)2-6(14)15/h3,9H,2H2,1H3,(H,14,15).
What are the key properties of 2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid?
2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid has a molecular weight of 280.07 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 130069504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).