2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid

C11H10FN3O2 — CID 139447589

IUPAC2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)cc(CF)n2)cn1
InChIInChI=1S/C11H10FN3O2/c1-15-6-8(5-13-15)10-3-7(11(16)17)2-9(4-12)14-10/h2-3,5-6H,4H2,1H3,(H,16,17)
InChIKeyRWZDKSBAVGEFLY-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.65
Rot. Bonds3

About 2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid

2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 139447589) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid
PubChem CID139447589
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)cc(CF)n2)cn1
InChIInChI=1S/C11H10FN3O2/c1-15-6-8(5-13-15)10-3-7(11(16)17)2-9(4-12)14-10/h2-3,5-6H,4H2,1H3,(H,16,17)
InChIKeyRWZDKSBAVGEFLY-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid (CID 139447589) is 2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid is Cn1cc(-c2cc(C(=O)O)cc(CF)n2)cn1.
What is the InChIKey of 2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is RWZDKSBAVGEFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-15-6-8(5-13-15)10-3-7(11(16)17)2-9(4-12)14-10/h2-3,5-6H,4H2,1H3,(H,16,17).
What are the key properties of 2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid?
2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 139447589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).