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

C8H8F2N2O2 — CID 130094865

IUPACmethyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(F)F)c(N)c1
InChIInChI=1S/C8H8F2N2O2/c1-14-8(13)4-2-5(11)6(7(9)10)12-3-4/h2-3,7H,11H2,1H3
InChIKeyZHDFHXWOQQXDJI-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.39
Rot. Bonds2

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

methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 130094865) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate
PubChem CID130094865
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Namemethyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(F)F)c(N)c1
InChIInChI=1S/C8H8F2N2O2/c1-14-8(13)4-2-5(11)6(7(9)10)12-3-4/h2-3,7H,11H2,1H3
InChIKeyZHDFHXWOQQXDJI-UHFFFAOYSA-N
XLogP1.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-acetamido-5-aminopyridine-3-carboxylate
CID 71100128
methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
CID 23204634
methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300
methyl 3-amino-5-(difluoromethyl)-4-hydroxybenzoate
CID 166556203
(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid
CID 169224427
methyl 3,4-diamino-5-(difluoromethoxy)benzoate
CID 171030762
methyl 6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134664019
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134684977
methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106624
methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate
CID 167003451
methyl 5-bromo-2-(difluoromethyl)-3-iodopyridine-4-carboxylate
CID 134684442

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate (CID 130094865) is methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1cnc(C(F)F)c(N)c1.
What is the InChIKey of methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is ZHDFHXWOQQXDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-14-8(13)4-2-5(11)6(7(9)10)12-3-4/h2-3,7H,11H2,1H3.
What are the key properties of methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate?
methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 202.16 g/mol, XLogP of 1.39, 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)pyridine-3-carboxylate is sourced from PubChem (CID 130094865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).