2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid

C7H5ClFNO2 — CID 175281524

IUPAC2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1ncccc1Cl
InChIInChI=1S/C7H5ClFNO2/c8-4-2-1-3-10-6(4)5(9)7(11)12/h1-3,5H,(H,11,12)
InChIKeyKFBAETWRTZRDDH-UHFFFAOYSA-N
MW189.57 g/mol
LogP1.83
Rot. Bonds2

About 2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid

2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid (PubChem CID 175281524) has the molecular formula C7H5ClFNO2 and a molecular weight of 189.57 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid
PubChem CID175281524
Molecular FormulaC7H5ClFNO2
Molecular Weight189.57 g/mol
Exact Mass189.00
IUPAC Name2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1ncccc1Cl
InChIInChI=1S/C7H5ClFNO2/c8-4-2-1-3-10-6(4)5(9)7(11)12/h1-3,5H,(H,11,12)
InChIKeyKFBAETWRTZRDDH-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid (CID 175281524) is 2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid is O=C(O)C(F)c1ncccc1Cl.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid?
The InChIKey is KFBAETWRTZRDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO2/c8-4-2-1-3-10-6(4)5(9)7(11)12/h1-3,5H,(H,11,12).
What are the key properties of 2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid?
2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid has a molecular weight of 189.57 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid is sourced from PubChem (CID 175281524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).