2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid

C7H5ClFNO2 — CID 119016121

IUPAC2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cnc(Cl)cc1F
InChIInChI=1S/C7H5ClFNO2/c8-6-2-5(9)4(3-10-6)1-7(11)12/h2-3H,1H2,(H,11,12)
InChIKeyXOZDWVASNZNTFX-UHFFFAOYSA-N
MW189.57 g/mol
LogP1.50
Rot. Bonds2

About 2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid

2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid (PubChem CID 119016121) has the molecular formula C7H5ClFNO2 and a molecular weight of 189.57 g/mol. Its IUPAC name is 2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid
PubChem CID119016121
Molecular FormulaC7H5ClFNO2
Molecular Weight189.57 g/mol
Exact Mass189.00
IUPAC Name2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cnc(Cl)cc1F
InChIInChI=1S/C7H5ClFNO2/c8-6-2-5(9)4(3-10-6)1-7(11)12/h2-3H,1H2,(H,11,12)
InChIKeyXOZDWVASNZNTFX-UHFFFAOYSA-N
XLogP1.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.57
LogP ≤ 51.50
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-(6-chloro-4-fluoro-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid (CID 119016121) is 2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid is O=C(O)Cc1cnc(Cl)cc1F.
What is the InChIKey of 2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid?
The InChIKey is XOZDWVASNZNTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO2/c8-6-2-5(9)4(3-10-6)1-7(11)12/h2-3H,1H2,(H,11,12).
What are the key properties of 2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid?
2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid has a molecular weight of 189.57 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid is sourced from PubChem (CID 119016121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).