2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid

C10H8ClN3O2 — CID 141394109

IUPAC2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn(-c2ccccn2)nc1Cl
InChIInChI=1S/C10H8ClN3O2/c11-10-7(5-9(15)16)6-14(13-10)8-3-1-2-4-12-8/h1-4,6H,5H2,(H,15,16)
InChIKeyQCHUULOOUCMSTG-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.55
Rot. Bonds3

About 2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid

2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid (PubChem CID 141394109) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid
PubChem CID141394109
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn(-c2ccccn2)nc1Cl
InChIInChI=1S/C10H8ClN3O2/c11-10-7(5-9(15)16)6-14(13-10)8-3-1-2-4-12-8/h1-4,6H,5H2,(H,15,16)
InChIKeyQCHUULOOUCMSTG-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid (CID 141394109) is 2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid is O=C(O)Cc1cn(-c2ccccn2)nc1Cl.
What is the InChIKey of 2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid?
The InChIKey is QCHUULOOUCMSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-10-7(5-9(15)16)6-14(13-10)8-3-1-2-4-12-8/h1-4,6H,5H2,(H,15,16).
What are the key properties of 2-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid?
2-(3-chloro-1-pyridin-2-ylpyrazol-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-(3-chloro-1-pyridin-2-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 141394109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).