2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C15H9F2N3O2 — CID 90205111

IUPAC2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H9F2N3O2/c16-11-2-1-9(7-12(11)17)13-4-6-19-20(13)14-8-10(15(21)22)3-5-18-14/h1-8H,(H,21,22)
InChIKeyHMFDIJHBCQAEDL-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.91
Rot. Bonds3

About 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205111) has the molecular formula C15H9F2N3O2 and a molecular weight of 301.25 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205111
Molecular FormulaC15H9F2N3O2
Molecular Weight301.25 g/mol
Exact Mass301.07
IUPAC Name2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H9F2N3O2/c16-11-2-1-9(7-12(11)17)13-4-6-19-20(13)14-8-10(15(21)22)3-5-18-14/h1-8H,(H,21,22)
InChIKeyHMFDIJHBCQAEDL-UHFFFAOYSA-N
XLogP2.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205111) is 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is HMFDIJHBCQAEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O2/c16-11-2-1-9(7-12(11)17)13-4-6-19-20(13)14-8-10(15(21)22)3-5-18-14/h1-8H,(H,21,22).
What are the key properties of 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 301.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).