fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate

C10H8FN3O2 — CID 163265230

IUPACfluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate
SMILESCc1nn(-c2cccnc2)cc1C(=O)OF
InChIInChI=1S/C10H8FN3O2/c1-7-9(10(15)16-11)6-14(13-7)8-3-2-4-12-5-8/h2-6H,1H3
InChIKeyKOEYZTVUUQBTAG-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.62
Rot. Bonds2

About fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate

fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate (PubChem CID 163265230) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namefluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate
PubChem CID163265230
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Namefluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate
SMILESCc1nn(-c2cccnc2)cc1C(=O)OF
InChIInChI=1S/C10H8FN3O2/c1-7-9(10(15)16-11)6-14(13-7)8-3-2-4-12-5-8/h2-6H,1H3
InChIKeyKOEYZTVUUQBTAG-UHFFFAOYSA-N
XLogP1.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate?
The IUPAC name of fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate (CID 163265230) is fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate?
The canonical SMILES for fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate is Cc1nn(-c2cccnc2)cc1C(=O)OF.
What is the InChIKey of fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate?
The InChIKey is KOEYZTVUUQBTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-7-9(10(15)16-11)6-14(13-7)8-3-2-4-12-5-8/h2-6H,1H3.
What are the key properties of fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate?
fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate has a molecular weight of 221.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-methyl-1-pyridin-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 163265230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).