2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine

C10H12F4N2 — CID 69243658

IUPAC2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine
SMILESCC(C)CCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C10H12F4N2/c1-5(2)3-4-15-8-6(11)9(13)16-10(14)7(8)12/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyFXEWGISYKSMBQJ-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.10
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine

2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine (PubChem CID 69243658) has the molecular formula C10H12F4N2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine
PubChem CID69243658
Molecular FormulaC10H12F4N2
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC Name2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine
SMILESCC(C)CCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C10H12F4N2/c1-5(2)3-4-15-8-6(11)9(13)16-10(14)7(8)12/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyFXEWGISYKSMBQJ-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine (CID 69243658) is 2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine is CC(C)CCNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine?
The InChIKey is FXEWGISYKSMBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2/c1-5(2)3-4-15-8-6(11)9(13)16-10(14)7(8)12/h5H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine?
2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine has a molecular weight of 236.21 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine is sourced from PubChem (CID 69243658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).