6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone

C19H14F2N6O3 — CID 164997926

IUPAC6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2cc(F)cn2)nc1.O=C(O)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C10H8FN3O.C9H6FN3O2/c1-7(15)8-2-3-10(12-4-8)14-6-9(11)5-13-14;10-7-4-12-13(5-7)8-2-1-6(3-11-8)9(14)15/h2-6H,1H3;1-5H,(H,14,15)
InChIKeyHUVISDZQGWAWCJ-UHFFFAOYSA-N
MW412.36 g/mol
LogP2.71
Rot. Bonds4

About 6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone

6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone (PubChem CID 164997926) has the molecular formula C19H14F2N6O3 and a molecular weight of 412.36 g/mol. Its IUPAC name is 6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone
PubChem CID164997926
Molecular FormulaC19H14F2N6O3
Molecular Weight412.36 g/mol
Exact Mass412.11
IUPAC Name6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2cc(F)cn2)nc1.O=C(O)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C10H8FN3O.C9H6FN3O2/c1-7(15)8-2-3-10(12-4-8)14-6-9(11)5-13-14;10-7-4-12-13(5-7)8-2-1-6(3-11-8)9(14)15/h2-6H,1H3;1-5H,(H,14,15)
InChIKeyHUVISDZQGWAWCJ-UHFFFAOYSA-N
XLogP2.71
TPSA115.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone (CID 164997926) is 6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-n2cc(F)cn2)nc1.O=C(O)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of 6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone?
The InChIKey is HUVISDZQGWAWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O.C9H6FN3O2/c1-7(15)8-2-3-10(12-4-8)14-6-9(11)5-13-14;10-7-4-12-13(5-7)8-2-1-6(3-11-8)9(14)15/h2-6H,1H3;1-5H,(H,14,15).
What are the key properties of 6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone?
6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone has a molecular weight of 412.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 164997926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).