2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine

C20H23F9N6 — CID 159468472

IUPAC2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine
SMILESC1CNCCN1.Fc1cc(C(F)(F)F)cnc1F.Fc1cc(C(F)(F)F)cnc1N1CCNCC1
InChIInChI=1S/C10H11F4N3.C6H2F5N.C4H10N2/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17;7-4-1-3(6(9,10)11)2-12-5(4)8;1-2-6-4-3-5-1/h5-6,15H,1-4H2;1-2H;5-6H,1-4H2
InChIKeyLVMMNCPKVWRFAQ-UHFFFAOYSA-N
MW518.43 g/mol
LogP3.21
Rot. Bonds1

About 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine

2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine (PubChem CID 159468472) has the molecular formula C20H23F9N6 and a molecular weight of 518.43 g/mol. Its IUPAC name is 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine.

Molecular Properties

Compound Name2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine
PubChem CID159468472
Molecular FormulaC20H23F9N6
Molecular Weight518.43 g/mol
Exact Mass518.18
IUPAC Name2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine
SMILESC1CNCCN1.Fc1cc(C(F)(F)F)cnc1F.Fc1cc(C(F)(F)F)cnc1N1CCNCC1
InChIInChI=1S/C10H11F4N3.C6H2F5N.C4H10N2/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17;7-4-1-3(6(9,10)11)2-12-5(4)8;1-2-6-4-3-5-1/h5-6,15H,1-4H2;1-2H;5-6H,1-4H2
InChIKeyLVMMNCPKVWRFAQ-UHFFFAOYSA-N
XLogP3.21
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.43
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine
CID 83778730
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride
CID 166485525
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387
2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 175475719
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
CID 154464385
5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile
CID 177335038
1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 171999708
6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155981344
5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163344044
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine?
The IUPAC name of 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine (CID 159468472) is 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine.
What is the SMILES notation for 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine?
The canonical SMILES for 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine is C1CNCCN1.Fc1cc(C(F)(F)F)cnc1F.Fc1cc(C(F)(F)F)cnc1N1CCNCC1.
What is the InChIKey of 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine?
The InChIKey is LVMMNCPKVWRFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3.C6H2F5N.C4H10N2/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17;7-4-1-3(6(9,10)11)2-12-5(4)8;1-2-6-4-3-5-1/h5-6,15H,1-4H2;1-2H;5-6H,1-4H2.
What are the key properties of 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine?
2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine has a molecular weight of 518.43 g/mol, XLogP of 3.21, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine is sourced from PubChem (CID 159468472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).