methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

C13H8Cl2F3N3O2 — CID 90441365

IUPACmethyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(Cl)c(N)c1Cl
InChIInChI=1S/C13H8Cl2F3N3O2/c1-23-12(22)11-8(15)9(19)7(14)10(21-11)5-2-3-6(20-4-5)13(16,17)18/h2-4H,1H3,(H2,19,21)
InChIKeyGJKAJZFMFVKXIE-UHFFFAOYSA-N
MW366.13 g/mol
LogP3.84
Rot. Bonds2

About methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 90441365) has the molecular formula C13H8Cl2F3N3O2 and a molecular weight of 366.13 g/mol. Its IUPAC name is methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
PubChem CID90441365
Molecular FormulaC13H8Cl2F3N3O2
Molecular Weight366.13 g/mol
Exact Mass364.99
IUPAC Namemethyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(Cl)c(N)c1Cl
InChIInChI=1S/C13H8Cl2F3N3O2/c1-23-12(22)11-8(15)9(19)7(14)10(21-11)5-2-3-6(20-4-5)13(16,17)18/h2-4H,1H3,(H2,19,21)
InChIKeyGJKAJZFMFVKXIE-UHFFFAOYSA-N
XLogP3.84
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate 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 methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (CID 90441365) is methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(Cl)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The InChIKey is GJKAJZFMFVKXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3N3O2/c1-23-12(22)11-8(15)9(19)7(14)10(21-11)5-2-3-6(20-4-5)13(16,17)18/h2-4H,1H3,(H2,19,21).
What are the key properties of methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 366.13 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 90441365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).