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

C8H6BrF2NO2 — CID 119015163

IUPAC2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)F)c(Br)n1
InChIInChI=1S/C8H6BrF2NO2/c9-7-5(8(10)11)2-1-4(12-7)3-6(13)14/h1-2,8H,3H2,(H,13,14)
InChIKeyBPMMQTAYBMUXBL-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.41
Rot. Bonds3

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

2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 119015163) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID119015163
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Name2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)F)c(Br)n1
InChIInChI=1S/C8H6BrF2NO2/c9-7-5(8(10)11)2-1-4(12-7)3-6(13)14/h1-2,8H,3H2,(H,13,14)
InChIKeyBPMMQTAYBMUXBL-UHFFFAOYSA-N
XLogP2.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[6-bromo-5-(difluoromethyl)-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-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130096523
2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid
CID 174767599
6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119013778
2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130070460
2-[5-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130082063
2-[2-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119019827
2-[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134673859
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 118800091
2-[6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 119018182
2-[2-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 119020607
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid (CID 119015163) is 2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(C(F)F)c(Br)n1.
What is the InChIKey of 2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is BPMMQTAYBMUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c9-7-5(8(10)11)2-1-4(12-7)3-6(13)14/h1-2,8H,3H2,(H,13,14).
What are the key properties of 2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 266.04 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 119015163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).