2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine

C10H12F4N2 — CID 155764999

IUPAC2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine
SMILESCC(C)[C@H](C)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C10H12F4N2/c1-4(2)5(3)15-8-6(11)9(13)16-10(14)7(8)12/h4-5H,1-3H3,(H,15,16)/t5-/m0/s1
InChIKeySYDQVONYONJYJQ-YFKPBYRVSA-N
MW236.21 g/mol
LogP3.09
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine (PubChem CID 155764999) has the molecular formula C10H12F4N2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine
PubChem CID155764999
Molecular FormulaC10H12F4N2
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC Name2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine
SMILESCC(C)[C@H](C)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C10H12F4N2/c1-4(2)5(3)15-8-6(11)9(13)16-10(14)7(8)12/h4-5H,1-3H3,(H,15,16)/t5-/m0/s1
InChIKeySYDQVONYONJYJQ-YFKPBYRVSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine (CID 155764999) is 2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine is CC(C)[C@H](C)Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine?
The InChIKey is SYDQVONYONJYJQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H12F4N2/c1-4(2)5(3)15-8-6(11)9(13)16-10(14)7(8)12/h4-5H,1-3H3,(H,15,16)/t5-/m0/s1.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine has a molecular weight of 236.21 g/mol, XLogP of 3.09, 3 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-[(2S)-3-methylbutan-2-yl]pyridin-4-amine is sourced from PubChem (CID 155764999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).