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

C8H7Cl2NO2 — CID 7131485

IUPAC2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid
SMILESCc1cc(Cl)c(CC(=O)O)c(Cl)n1
InChIInChI=1S/C8H7Cl2NO2/c1-4-2-6(9)5(3-7(12)13)8(10)11-4/h2H,3H2,1H3,(H,12,13)
InChIKeyDXSQLOPCMLRUEC-UHFFFAOYSA-N
MW220.05 g/mol
LogP2.32
Rot. Bonds2

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

2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid (PubChem CID 7131485) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.05 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid
PubChem CID7131485
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.05 g/mol
Exact Mass218.99
IUPAC Name2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid
SMILESCc1cc(Cl)c(CC(=O)O)c(Cl)n1
InChIInChI=1S/C8H7Cl2NO2/c1-4-2-6(9)5(3-7(12)13)8(10)11-4/h2H,3H2,1H3,(H,12,13)
InChIKeyDXSQLOPCMLRUEC-UHFFFAOYSA-N
XLogP2.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid (CID 7131485) is 2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid is Cc1cc(Cl)c(CC(=O)O)c(Cl)n1.
What is the InChIKey of 2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid?
The InChIKey is DXSQLOPCMLRUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-4-2-6(9)5(3-7(12)13)8(10)11-4/h2H,3H2,1H3,(H,12,13).
What are the key properties of 2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid?
2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid has a molecular weight of 220.05 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-methyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 7131485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).