N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane

C12H21FN2 — CID 172632232

IUPACN-butyl-2-fluoro-6-methylpyridin-4-amine;ethane
SMILESCC.CCCCNc1cc(C)nc(F)c1
InChIInChI=1S/C10H15FN2.C2H6/c1-3-4-5-12-9-6-8(2)13-10(11)7-9;1-2/h6-7H,3-5H2,1-2H3,(H,12,13);1-2H3
InChIKeyUVTXLDZSEDORDB-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.77
Rot. Bonds4

About N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane

N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane (PubChem CID 172632232) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane.

Molecular Properties

Compound NameN-butyl-2-fluoro-6-methylpyridin-4-amine;ethane
PubChem CID172632232
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC NameN-butyl-2-fluoro-6-methylpyridin-4-amine;ethane
SMILESCC.CCCCNc1cc(C)nc(F)c1
InChIInChI=1S/C10H15FN2.C2H6/c1-3-4-5-12-9-6-8(2)13-10(11)7-9;1-2/h6-7H,3-5H2,1-2H3,(H,12,13);1-2H3
InChIKeyUVTXLDZSEDORDB-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane?
The IUPAC name of N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane (CID 172632232) is N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane.
What is the SMILES notation for N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane?
The canonical SMILES for N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane is CC.CCCCNc1cc(C)nc(F)c1.
What is the InChIKey of N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane?
The InChIKey is UVTXLDZSEDORDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2.C2H6/c1-3-4-5-12-9-6-8(2)13-10(11)7-9;1-2/h6-7H,3-5H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane?
N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane has a molecular weight of 212.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane is sourced from PubChem (CID 172632232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).