methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate

C9H7F5N2O2 — CID 134684977

IUPACmethyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)c(C(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H7F5N2O2/c1-18-8(17)3-2-4(15)5(7(10)11)16-6(3)9(12,13)14/h2,7H,15H2,1H3
InChIKeyJGKGCTVKSXVQCT-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.41
Rot. Bonds2

About methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate

methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 134684977) has the molecular formula C9H7F5N2O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID134684977
Molecular FormulaC9H7F5N2O2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Namemethyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)c(C(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H7F5N2O2/c1-18-8(17)3-2-4(15)5(7(10)11)16-6(3)9(12,13)14/h2,7H,15H2,1H3
InChIKeyJGKGCTVKSXVQCT-UHFFFAOYSA-N
XLogP2.41
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133102502
methyl 5-amino-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 174316175
methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133104062
methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130104947
methyl 2-(difluoromethyl)-3-hydroxy-6-methoxypyridine-4-carboxylate
CID 133103210
methyl 6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133100965
methyl 2-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134678273
methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate
CID 130094865
methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133101747
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106624
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate (CID 134684977) is methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1cc(N)c(C(F)F)nc1C(F)(F)F.
What is the InChIKey of methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is JGKGCTVKSXVQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O2/c1-18-8(17)3-2-4(15)5(7(10)11)16-6(3)9(12,13)14/h2,7H,15H2,1H3.
What are the key properties of methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate?
methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 270.16 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134684977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).