methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride

C8H8Cl2F3NO2 — CID 141197629

IUPACmethyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
SMILESCOC(=O)c1cccnc1C(F)(F)F.Cl.Cl
InChIInChI=1S/C8H6F3NO2.2ClH/c1-14-7(13)5-3-2-4-12-6(5)8(9,10)11;;/h2-4H,1H3;2*1H
InChIKeyVIGXHVHOZBGVGY-UHFFFAOYSA-N
MW278.06 g/mol
LogP2.73
Rot. Bonds1

About methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride

methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride (PubChem CID 141197629) has the molecular formula C8H8Cl2F3NO2 and a molecular weight of 278.06 g/mol. Its IUPAC name is methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
PubChem CID141197629
Molecular FormulaC8H8Cl2F3NO2
Molecular Weight278.06 g/mol
Exact Mass276.99
IUPAC Namemethyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
SMILESCOC(=O)c1cccnc1C(F)(F)F.Cl.Cl
InChIInChI=1S/C8H6F3NO2.2ClH/c1-14-7(13)5-3-2-4-12-6(5)8(9,10)11;;/h2-4H,1H3;2*1H
InChIKeyVIGXHVHOZBGVGY-UHFFFAOYSA-N
XLogP2.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride 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

methyl 2-hydroxy-3-[3-oxo-3-[2-(trifluoromethyl)-3-pyridinyl]propanoyl]benzoate
CID 58477324
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386
methyl 2-(trifluoromethyl)benzoate
CID 2775578
[3-(dimethylamino)phenyl]methyl 2-(trifluoromethyl)pyridine-3-carboxylate
CID 75496743
[4-(2-amino-2-oxoethyl)phenyl] 2-(trifluoromethyl)pyridine-3-carboxylate
CID 5092706
methyl 2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]pyridine-3-carboxylate
CID 11673668
2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120527844

Frequently Asked Questions

What is the IUPAC name of methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride?
The IUPAC name of methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride (CID 141197629) is methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride?
The canonical SMILES for methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride is COC(=O)c1cccnc1C(F)(F)F.Cl.Cl.
What is the InChIKey of methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride?
The InChIKey is VIGXHVHOZBGVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2.2ClH/c1-14-7(13)5-3-2-4-12-6(5)8(9,10)11;;/h2-4H,1H3;2*1H.
What are the key properties of methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride?
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride has a molecular weight of 278.06 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride is sourced from PubChem (CID 141197629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).