2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid

C7H4BrCl2NO2 — CID 174457480

IUPAC2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1nc(Cl)cc(Cl)c1Br
InChIInChI=1S/C7H4BrCl2NO2/c8-7-3(9)1-5(10)11-4(7)2-6(12)13/h1H,2H2,(H,12,13)
InChIKeyHLJTWUWNPCEMMA-UHFFFAOYSA-N
MW284.92 g/mol
LogP2.78
Rot. Bonds2

About 2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid

2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid (PubChem CID 174457480) has the molecular formula C7H4BrCl2NO2 and a molecular weight of 284.92 g/mol. Its IUPAC name is 2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid
PubChem CID174457480
Molecular FormulaC7H4BrCl2NO2
Molecular Weight284.92 g/mol
Exact Mass282.88
IUPAC Name2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1nc(Cl)cc(Cl)c1Br
InChIInChI=1S/C7H4BrCl2NO2/c8-7-3(9)1-5(10)11-4(7)2-6(12)13/h1H,2H2,(H,12,13)
InChIKeyHLJTWUWNPCEMMA-UHFFFAOYSA-N
XLogP2.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.92
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074442
2-[2-(bromomethyl)-6-chloro-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118843847
2-(3-amino-4-bromo-5-chlorophenyl)acetic acid
CID 131299172
4,6-dichloro-2-ethylpyridine-3-carboxylic acid
CID 122407739
2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid
CID 130679243
2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118811812
2-[6-(bromomethyl)-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118849600
2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid
CID 83867143
2-(2-bromo-3,4-dichlorophenyl)acetic acid
CID 54442363
2-[3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130070813
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108367
2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid
CID 130073442

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid?
The IUPAC name of 2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid (CID 174457480) is 2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid is O=C(O)Cc1nc(Cl)cc(Cl)c1Br.
What is the InChIKey of 2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid?
The InChIKey is HLJTWUWNPCEMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrCl2NO2/c8-7-3(9)1-5(10)11-4(7)2-6(12)13/h1H,2H2,(H,12,13).
What are the key properties of 2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid?
2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid has a molecular weight of 284.92 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid is sourced from PubChem (CID 174457480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).