2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid

C11H10FN3O2 — CID 154640377

IUPAC2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C11H10FN3O2/c1-7(11(16)17)8-2-3-10(13-4-8)15-6-9(12)5-14-15/h2-7H,1H3,(H,16,17)
InChIKeySVRREIBTLDPCST-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.59
Rot. Bonds3

About 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid

2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid (PubChem CID 154640377) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid
PubChem CID154640377
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C11H10FN3O2/c1-7(11(16)17)8-2-3-10(13-4-8)15-6-9(12)5-14-15/h2-7H,1H3,(H,16,17)
InChIKeySVRREIBTLDPCST-UHFFFAOYSA-N
XLogP1.59
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-(3,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205111
2-(5-(4-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205512
2-(5-methyl-1H-pyrazol-1-yl)isonicotinic acid
CID 84777128
2-[4-[2-[(4-Fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725666
2-(5-butyl-1H-pyrazol-1-yl)isonicotinic acid
CID 90205218
2-(3-butyl-1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CID 90211018
1H-Pyrazole-4-acetic acid, alpha-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-
CID 362811
1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-
CID 3087987
2-(1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CID 28375507
2-[1-(5-Fluoropyridin-2-yl)-1H-pyrazol-4-yl]ethanol
CID 50970819

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid?
The IUPAC name of 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid (CID 154640377) is 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid?
The canonical SMILES for 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid is CC(C(=O)O)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid?
The InChIKey is SVRREIBTLDPCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-7(11(16)17)8-2-3-10(13-4-8)15-6-9(12)5-14-15/h2-7H,1H3,(H,16,17).
What are the key properties of 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid?
2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid has a molecular weight of 235.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 154640377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).