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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Related Compounds

4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 158230752
methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 141441800
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
CID 90409767
methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
CID 166448386
4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
CID 163642311
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate
CID 172742481
methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate
CID 22677295
methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate
CID 22677430
ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate
CID 134588386
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111

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).