6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine

C13H13FN6 — CID 161230547

IUPAC6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine
SMILESNc1ccc(-n2cccn2)nc1.Nc1ccc(F)nc1
InChIInChI=1S/C8H8N4.C5H5FN2/c9-7-2-3-8(10-6-7)12-5-1-4-11-12;6-5-2-1-4(7)3-8-5/h1-6H,9H2;1-3H,7H2
InChIKeyUYRUPGHGSNJOIS-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.65
Rot. Bonds1

About 6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine

6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine (PubChem CID 161230547) has the molecular formula C13H13FN6 and a molecular weight of 272.29 g/mol. Its IUPAC name is 6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound Name6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine
PubChem CID161230547
Molecular FormulaC13H13FN6
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine
SMILESNc1ccc(-n2cccn2)nc1.Nc1ccc(F)nc1
InChIInChI=1S/C8H8N4.C5H5FN2/c9-7-2-3-8(10-6-7)12-5-1-4-11-12;6-5-2-1-4(7)3-8-5/h1-6H,9H2;1-3H,7H2
InChIKeyUYRUPGHGSNJOIS-UHFFFAOYSA-N
XLogP1.65
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-pyrazol-1-ylpyridine
CID 141212781
6-(triazol-1-yl)pyridin-3-amine
CID 16776099
1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine
CID 115563158
(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine
CID 79001910
6-pyrazol-1-ylpyridine-3-carbothioamide
CID 24709934
N-[(4-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704289
(6-pyrazol-1-yl-3-pyridinyl)boronic acid
CID 124707516
5-(methylsulfanylmethyl)-2-pyrazol-1-ylpyridine
CID 148997787
N-[(2-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704514
6-fluoro-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 115497231
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 25480347
2-bromo-2-(6-pyrazol-1-yl-3-pyridinyl)acetaldehyde
CID 174703787

Frequently Asked Questions

What is the IUPAC name of 6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of 6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine (CID 161230547) is 6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for 6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for 6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine is Nc1ccc(-n2cccn2)nc1.Nc1ccc(F)nc1.
What is the InChIKey of 6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine?
The InChIKey is UYRUPGHGSNJOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4.C5H5FN2/c9-7-2-3-8(10-6-7)12-5-1-4-11-12;6-5-2-1-4(7)3-8-5/h1-6H,9H2;1-3H,7H2.
What are the key properties of 6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine?
6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine has a molecular weight of 272.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 161230547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).