2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid

C10H8ClN3O2 — CID 141394114

IUPAC2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cnn(-c2cccc(Cl)n2)c1
InChIInChI=1S/C10H8ClN3O2/c11-8-2-1-3-9(13-8)14-6-7(5-12-14)4-10(15)16/h1-3,5-6H,4H2,(H,15,16)
InChIKeyXFSGVFYLCKWNRH-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.55
Rot. Bonds3

About 2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid

2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid (PubChem CID 141394114) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid
PubChem CID141394114
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cnn(-c2cccc(Cl)n2)c1
InChIInChI=1S/C10H8ClN3O2/c11-8-2-1-3-9(13-8)14-6-7(5-12-14)4-10(15)16/h1-3,5-6H,4H2,(H,15,16)
InChIKeyXFSGVFYLCKWNRH-UHFFFAOYSA-N
XLogP1.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid (CID 141394114) is 2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid is O=C(O)Cc1cnn(-c2cccc(Cl)n2)c1.
What is the InChIKey of 2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid?
The InChIKey is XFSGVFYLCKWNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-8-2-1-3-9(13-8)14-6-7(5-12-14)4-10(15)16/h1-3,5-6H,4H2,(H,15,16).
What are the key properties of 2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid?
2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid has a molecular weight of 237.65 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2-pyridinyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 141394114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).