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

C14H11ClF3N3O2 — CID 90415028

IUPACmethyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(C)c(N)c1Cl
InChIInChI=1S/C14H11ClF3N3O2/c1-6-10(19)9(15)12(13(22)23-2)21-11(6)7-3-4-8(20-5-7)14(16,17)18/h3-5H,1-2H3,(H2,19,21)
InChIKeyGGPLNHFKKLUESD-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.49
Rot. Bonds2

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

methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 90415028) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
PubChem CID90415028
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC Namemethyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(C)c(N)c1Cl
InChIInChI=1S/C14H11ClF3N3O2/c1-6-10(19)9(15)12(13(22)23-2)21-11(6)7-3-4-8(20-5-7)14(16,17)18/h3-5H,1-2H3,(H2,19,21)
InChIKeyGGPLNHFKKLUESD-UHFFFAOYSA-N
XLogP3.49
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (CID 90415028) is methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(C)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The InChIKey is GGPLNHFKKLUESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c1-6-10(19)9(15)12(13(22)23-2)21-11(6)7-3-4-8(20-5-7)14(16,17)18/h3-5H,1-2H3,(H2,19,21).
What are the key properties of methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 345.71 g/mol, XLogP of 3.49, 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-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 90415028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).