3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine

C14H8F2N4 — CID 167882982

IUPAC3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine
SMILESNc1nc(F)ccc1C#CC#Cc1ccc(F)nc1N
InChIInChI=1S/C14H8F2N4/c15-11-7-5-9(13(17)19-11)3-1-2-4-10-6-8-12(16)20-14(10)18/h5-8H,(H2,17,19)(H2,18,20)
InChIKeySWNNCNGUHZGUIS-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.32
Rot. Bonds

About 3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine

3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine (PubChem CID 167882982) has the molecular formula C14H8F2N4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound Name3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine
PubChem CID167882982
Molecular FormulaC14H8F2N4
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Name3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine
SMILESNc1nc(F)ccc1C#CC#Cc1ccc(F)nc1N
InChIInChI=1S/C14H8F2N4/c15-11-7-5-9(13(17)19-11)3-1-2-4-10-6-8-12(16)20-14(10)18/h5-8H,(H2,17,19)(H2,18,20)
InChIKeySWNNCNGUHZGUIS-UHFFFAOYSA-N
XLogP1.32
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine?
The IUPAC name of 3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine (CID 167882982) is 3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for 3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine?
The canonical SMILES for 3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine is Nc1nc(F)ccc1C#CC#Cc1ccc(F)nc1N.
What is the InChIKey of 3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine?
The InChIKey is SWNNCNGUHZGUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4/c15-11-7-5-9(13(17)19-11)3-1-2-4-10-6-8-12(16)20-14(10)18/h5-8H,(H2,17,19)(H2,18,20).
What are the key properties of 3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine?
3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine has a molecular weight of 270.24 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-6-fluoro-3-pyridinyl)buta-1,3-diynyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 167882982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).