ethane;2-fluoropyridine;pyrimidine

C13H20FN3 — CID 144757816

IUPACethane;2-fluoropyridine;pyrimidine
SMILESCC.CC.Fc1ccccn1.c1cncnc1
InChIInChI=1S/C5H4FN.C4H4N2.2C2H6/c6-5-3-1-2-4-7-5;1-2-5-4-6-3-1;2*1-2/h1-4H;1-4H;2*1-2H3
InChIKeySXUBABUOLRXFRP-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.75
Rot. Bonds

About ethane;2-fluoropyridine;pyrimidine

ethane;2-fluoropyridine;pyrimidine (PubChem CID 144757816) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is ethane;2-fluoropyridine;pyrimidine.

Molecular Properties

Compound Nameethane;2-fluoropyridine;pyrimidine
PubChem CID144757816
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Nameethane;2-fluoropyridine;pyrimidine
SMILESCC.CC.Fc1ccccn1.c1cncnc1
InChIInChI=1S/C5H4FN.C4H4N2.2C2H6/c6-5-3-1-2-4-7-5;1-2-5-4-6-3-1;2*1-2/h1-4H;1-4H;2*1-2H3
InChIKeySXUBABUOLRXFRP-UHFFFAOYSA-N
XLogP3.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 91514056
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CID 174919283
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-methylpyridine;pyridine
CID 19753594
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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoropyridine;pyrimidine?
The IUPAC name of ethane;2-fluoropyridine;pyrimidine (CID 144757816) is ethane;2-fluoropyridine;pyrimidine.
What is the SMILES notation for ethane;2-fluoropyridine;pyrimidine?
The canonical SMILES for ethane;2-fluoropyridine;pyrimidine is CC.CC.Fc1ccccn1.c1cncnc1.
What is the InChIKey of ethane;2-fluoropyridine;pyrimidine?
The InChIKey is SXUBABUOLRXFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN.C4H4N2.2C2H6/c6-5-3-1-2-4-7-5;1-2-5-4-6-3-1;2*1-2/h1-4H;1-4H;2*1-2H3.
What are the key properties of ethane;2-fluoropyridine;pyrimidine?
ethane;2-fluoropyridine;pyrimidine has a molecular weight of 237.32 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoropyridine;pyrimidine is sourced from PubChem (CID 144757816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).