2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid

C9H11F3N4O2 — CID 162665423

IUPAC2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(N=C(N)N)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H10N4.C2HF3O2/c1-5-2-3-6(10-4-5)11-7(8)9;3-2(4,5)1(6)7/h2-4H,1H3,(H4,8,9,10,11);(H,6,7)
InChIKeyPQCWIEDIIGGKBZ-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.93
Rot. Bonds1

About 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid

2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid (PubChem CID 162665423) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid
PubChem CID162665423
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(N=C(N)N)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H10N4.C2HF3O2/c1-5-2-3-6(10-4-5)11-7(8)9;3-2(4,5)1(6)7/h2-4H,1H3,(H4,8,9,10,11);(H,6,7)
InChIKeyPQCWIEDIIGGKBZ-UHFFFAOYSA-N
XLogP0.93
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid 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

2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
2-Acetylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
CID 609233
2-Amino-3-(trifluoromethyl)pyridine
CID 2760920
2-Amino-4-(trifluoromethyl)pyridine
CID 2778315
2-(N-Boc-Amino)-3-methylpyridine
CID 11745848
6-Methoxy-2-((3-(trifluoromethyl)pyridin-2-yl)amino)pyrimidin-4-ol
CID 57495160
Htpu (ssre-020)
CID 139596377
N'1-[5-(trifluoromethyl)-2-pyridyl]-2-methylpropanohydrazide
CID 2727167
Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]hydrazine-1-carboxylate
CID 2727168
2-Acetamido-3-methylpyridine
CID 268295

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid (CID 162665423) is 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid is Cc1ccc(N=C(N)N)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid?
The InChIKey is PQCWIEDIIGGKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4.C2HF3O2/c1-5-2-3-6(10-4-5)11-7(8)9;3-2(4,5)1(6)7/h2-4H,1H3,(H4,8,9,10,11);(H,6,7).
What are the key properties of 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid?
2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid has a molecular weight of 264.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162665423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).