2-(5-chloro-2-pyridinyl)acetic acid

C7H6ClNO2 — CID 46737473

IUPAC2-(5-chloro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(Cl)cn1
InChIInChI=1S/C7H6ClNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h1-2,4H,3H2,(H,10,11)
InChIKeyAUCKAGADUXSVKT-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.36
Rot. Bonds2

About 2-(5-chloro-2-pyridinyl)acetic acid

2-(5-chloro-2-pyridinyl)acetic acid (PubChem CID 46737473) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)acetic acid
PubChem CID46737473
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name2-(5-chloro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(Cl)cn1
InChIInChI=1S/C7H6ClNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h1-2,4H,3H2,(H,10,11)
InChIKeyAUCKAGADUXSVKT-UHFFFAOYSA-N
XLogP1.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)acetic acid?
The IUPAC name of 2-(5-chloro-2-pyridinyl)acetic acid (CID 46737473) is 2-(5-chloro-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)acetic acid is O=C(O)Cc1ccc(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)acetic acid?
The InChIKey is AUCKAGADUXSVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h1-2,4H,3H2,(H,10,11).
What are the key properties of 2-(5-chloro-2-pyridinyl)acetic acid?
2-(5-chloro-2-pyridinyl)acetic acid has a molecular weight of 171.58 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)acetic acid is sourced from PubChem (CID 46737473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).