methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate

C11H10FN3O2 — CID 150718635

IUPACmethyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C11H10FN3O2/c1-17-11(16)4-8-2-3-10(13-5-8)15-7-9(12)6-14-15/h2-3,5-7H,4H2,1H3
InChIKeyJPJZMQZDBGRGDT-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.12
Rot. Bonds3

About methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate

methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate (PubChem CID 150718635) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate
PubChem CID150718635
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Namemethyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C11H10FN3O2/c1-17-11(16)4-8-2-3-10(13-5-8)15-7-9(12)6-14-15/h2-3,5-7H,4H2,1H3
InChIKeyJPJZMQZDBGRGDT-UHFFFAOYSA-N
XLogP1.12
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[(4-Fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725666
2-(1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CID 28375507
1-[6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl]ethanone
CID 122445413
2-[1-(5-Fluoropyridin-2-yl)-1H-pyrazol-4-yl]ethanol
CID 50970819
2-(3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)acetic acid
CID 16771295
2-{3,5-dimethyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-4-yl}acetic acid
CID 16771850
Ethyl 2-(benzhydrylideneamino)-3-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propanoate
CID 57576840
[2-(3-fluoro-pyridin-2-yl)-2H-pyrazol-3-yl]-acetic acid ethyl ester
CID 59646860
5-Ethyl-3-fluoro-2-pyrazol-1-ylpyridine
CID 68050009
ethyl 3-{3-(1-methylpropyl)-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl}propionate
CID 69643866
ethyl 3-{3-isopropyl-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl)propionate
CID 69643913
ethyl 3-{3-butyl-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl}propionate
CID 69644019

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate (CID 150718635) is methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate is COC(=O)Cc1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate?
The InChIKey is JPJZMQZDBGRGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-17-11(16)4-8-2-3-10(13-5-8)15-7-9(12)6-14-15/h2-3,5-7H,4H2,1H3.
What are the key properties of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate?
methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate has a molecular weight of 235.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetate is sourced from PubChem (CID 150718635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).