2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid

C8H8ClNO3 — CID 84670284

IUPAC2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
SMILESCOc1cc(Cl)cnc1CC(=O)O
InChIInChI=1S/C8H8ClNO3/c1-13-7-2-5(9)4-10-6(7)3-8(11)12/h2,4H,3H2,1H3,(H,11,12)
InChIKeyIFSLMNRPDYWKOG-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.37
Rot. Bonds3

About 2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid

2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid (PubChem CID 84670284) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
PubChem CID84670284
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
SMILESCOc1cc(Cl)cnc1CC(=O)O
InChIInChI=1S/C8H8ClNO3/c1-13-7-2-5(9)4-10-6(7)3-8(11)12/h2,4H,3H2,1H3,(H,11,12)
InChIKeyIFSLMNRPDYWKOG-UHFFFAOYSA-N
XLogP1.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid?
The IUPAC name of 2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid (CID 84670284) is 2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid is COc1cc(Cl)cnc1CC(=O)O.
What is the InChIKey of 2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid?
The InChIKey is IFSLMNRPDYWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-13-7-2-5(9)4-10-6(7)3-8(11)12/h2,4H,3H2,1H3,(H,11,12).
What are the key properties of 2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid?
2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid has a molecular weight of 201.61 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid is sourced from PubChem (CID 84670284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).