2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline

C14H10F2N4 — CID 115993989

IUPAC2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline
SMILESNc1ccccc1-c1cnn(-c2ncc(F)cc2F)c1
InChIInChI=1S/C14H10F2N4/c15-10-5-12(16)14(18-7-10)20-8-9(6-19-20)11-3-1-2-4-13(11)17/h1-8H,17H2
InChIKeyGFSUWYNFQOTMHZ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.79
Rot. Bonds2

About 2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline

2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline (PubChem CID 115993989) has the molecular formula C14H10F2N4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline.

Molecular Properties

Compound Name2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline
PubChem CID115993989
Molecular FormulaC14H10F2N4
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline
SMILESNc1ccccc1-c1cnn(-c2ncc(F)cc2F)c1
InChIInChI=1S/C14H10F2N4/c15-10-5-12(16)14(18-7-10)20-8-9(6-19-20)11-3-1-2-4-13(11)17/h1-8H,17H2
InChIKeyGFSUWYNFQOTMHZ-UHFFFAOYSA-N
XLogP2.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline?
The IUPAC name of 2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline (CID 115993989) is 2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline.
What is the SMILES notation for 2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline?
The canonical SMILES for 2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline is Nc1ccccc1-c1cnn(-c2ncc(F)cc2F)c1.
What is the InChIKey of 2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline?
The InChIKey is GFSUWYNFQOTMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4/c15-10-5-12(16)14(18-7-10)20-8-9(6-19-20)11-3-1-2-4-13(11)17/h1-8H,17H2.
What are the key properties of 2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline?
2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline has a molecular weight of 272.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline is sourced from PubChem (CID 115993989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).