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

C7H6ClNO2 — CID 14739544

IUPAC2-(2-chloro-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cccnc1Cl
InChIInChI=1S/C7H6ClNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11)
InChIKeyNOASBJYTBZMVKT-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.36
Rot. Bonds2

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

2-(2-chloro-3-pyridinyl)acetic acid (PubChem CID 14739544) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)acetic acid
PubChem CID14739544
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name2-(2-chloro-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cccnc1Cl
InChIInChI=1S/C7H6ClNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11)
InChIKeyNOASBJYTBZMVKT-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

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-chloro-3-pyridinyl)acetic acid?
The IUPAC name of 2-(2-chloro-3-pyridinyl)acetic acid (CID 14739544) is 2-(2-chloro-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)acetic acid is O=C(O)Cc1cccnc1Cl.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)acetic acid?
The InChIKey is NOASBJYTBZMVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11).
What are the key properties of 2-(2-chloro-3-pyridinyl)acetic acid?
2-(2-chloro-3-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-(2-chloro-3-pyridinyl)acetic acid is sourced from PubChem (CID 14739544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).