2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid

C9H11FN2O2 — CID 165493391

IUPAC2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)C(F)c1cnn2c1CCCC2
InChIInChI=1S/C9H11FN2O2/c10-8(9(13)14)6-5-11-12-4-2-1-3-7(6)12/h5,8H,1-4H2,(H,13,14)
InChIKeyZWKMAGCRHIMLSS-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.31
Rot. Bonds2

About 2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid

2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid (PubChem CID 165493391) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid
PubChem CID165493391
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)C(F)c1cnn2c1CCCC2
InChIInChI=1S/C9H11FN2O2/c10-8(9(13)14)6-5-11-12-4-2-1-3-7(6)12/h5,8H,1-4H2,(H,13,14)
InChIKeyZWKMAGCRHIMLSS-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid (CID 165493391) is 2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid is O=C(O)C(F)c1cnn2c1CCCC2.
What is the InChIKey of 2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid?
The InChIKey is ZWKMAGCRHIMLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-8(9(13)14)6-5-11-12-4-2-1-3-7(6)12/h5,8H,1-4H2,(H,13,14).
What are the key properties of 2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid?
2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid has a molecular weight of 198.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 165493391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).