1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine

C8H6ClFN4 — CID 134588796

IUPAC1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine
SMILESNc1ccn(-c2cnc(Cl)c(F)c2)n1
InChIInChI=1S/C8H6ClFN4/c9-8-6(10)3-5(4-12-8)14-2-1-7(11)13-14/h1-4H,(H2,11,13)
InChIKeyUFTWZVAAYPFDKL-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.64
Rot. Bonds1

About 1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine

1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine (PubChem CID 134588796) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine
PubChem CID134588796
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine
SMILESNc1ccn(-c2cnc(Cl)c(F)c2)n1
InChIInChI=1S/C8H6ClFN4/c9-8-6(10)3-5(4-12-8)14-2-1-7(11)13-14/h1-4H,(H2,11,13)
InChIKeyUFTWZVAAYPFDKL-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine?
The IUPAC name of 1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine (CID 134588796) is 1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine.
What is the SMILES notation for 1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine?
The canonical SMILES for 1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine is Nc1ccn(-c2cnc(Cl)c(F)c2)n1.
What is the InChIKey of 1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine?
The InChIKey is UFTWZVAAYPFDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c9-8-6(10)3-5(4-12-8)14-2-1-7(11)13-14/h1-4H,(H2,11,13).
What are the key properties of 1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine?
1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine has a molecular weight of 212.62 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine is sourced from PubChem (CID 134588796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).