2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid

C10H7BrF5NO3 — CID 118838270

IUPAC2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(OC(F)(F)F)c(CBr)n1
InChIInChI=1S/C10H7BrF5NO3/c11-3-6-8(20-10(14,15)16)5(9(12)13)1-4(17-6)2-7(18)19/h1,9H,2-3H2,(H,18,19)
InChIKeyJGWDJFOWORRRTM-UHFFFAOYSA-N
MW364.06 g/mol
LogP3.44
Rot. Bonds5

About 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid

2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 118838270) has the molecular formula C10H7BrF5NO3 and a molecular weight of 364.06 g/mol. Its IUPAC name is 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID118838270
Molecular FormulaC10H7BrF5NO3
Molecular Weight364.06 g/mol
Exact Mass362.95
IUPAC Name2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(OC(F)(F)F)c(CBr)n1
InChIInChI=1S/C10H7BrF5NO3/c11-3-6-8(20-10(14,15)16)5(9(12)13)1-4(17-6)2-7(18)19/h1,9H,2-3H2,(H,18,19)
InChIKeyJGWDJFOWORRRTM-UHFFFAOYSA-N
XLogP3.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.06
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665188
2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680885
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118826916
2-[6-(chloromethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134671824
2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118838119
2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133099163
6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134668844
2-[5-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130082063
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001
2-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118804455
2-[4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118849917

Frequently Asked Questions

What is the IUPAC name of 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 118838270) is 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)F)c(OC(F)(F)F)c(CBr)n1.
What is the InChIKey of 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is JGWDJFOWORRRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF5NO3/c11-3-6-8(20-10(14,15)16)5(9(12)13)1-4(17-6)2-7(18)19/h1,9H,2-3H2,(H,18,19).
What are the key properties of 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 364.06 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118838270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).