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

C13H14FN3O2 — CID 154640380

IUPACmethyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C13H14FN3O2/c1-13(2,12(18)19-3)9-4-5-11(15-6-9)17-8-10(14)7-16-17/h4-8H,1-3H3
InChIKeyNASIRLNDNABUEQ-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.86
Rot. Bonds3

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

methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate (PubChem CID 154640380) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate
PubChem CID154640380
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Namemethyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C13H14FN3O2/c1-13(2,12(18)19-3)9-4-5-11(15-6-9)17-8-10(14)7-16-17/h4-8H,1-3H3
InChIKeyNASIRLNDNABUEQ-UHFFFAOYSA-N
XLogP1.86
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate?
The IUPAC name of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate (CID 154640380) is methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate is COC(=O)C(C)(C)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate?
The InChIKey is NASIRLNDNABUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-13(2,12(18)19-3)9-4-5-11(15-6-9)17-8-10(14)7-16-17/h4-8H,1-3H3.
What are the key properties of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate?
methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-2-methylpropanoate has a molecular weight of 263.27 g/mol, XLogP of 1.86, 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]-2-methylpropanoate is sourced from PubChem (CID 154640380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).