methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate

C8H8F2N2O3 — CID 130104973

IUPACmethyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)cc(N)c1O
InChIInChI=1S/C8H8F2N2O3/c1-15-8(14)5-6(13)3(11)2-4(12-5)7(9)10/h2,7,13H,1H3,(H2,11,12)
InChIKeyMQKWMYOMXCZPGZ-UHFFFAOYSA-N
MW218.16 g/mol
LogP1.09
Rot. Bonds2

About methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate

methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate (PubChem CID 130104973) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
PubChem CID130104973
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Namemethyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)cc(N)c1O
InChIInChI=1S/C8H8F2N2O3/c1-15-8(14)5-6(13)3(11)2-4(12-5)7(9)10/h2,7,13H,1H3,(H2,11,12)
InChIKeyMQKWMYOMXCZPGZ-UHFFFAOYSA-N
XLogP1.09
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 152778193
methyl 4-(bromomethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130084975
methyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134684128
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 130069488
methyl 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxylate
CID 133102179
methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130103675
4-amino-6-(difluoromethyl)-3-methylpyridine-2-carboxamide
CID 118823020
methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate
CID 130082903
methyl 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133084570
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 130075735

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate (CID 130104973) is methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate is COC(=O)c1nc(C(F)F)cc(N)c1O.
What is the InChIKey of methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
The InChIKey is MQKWMYOMXCZPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-15-8(14)5-6(13)3(11)2-4(12-5)7(9)10/h2,7,13H,1H3,(H2,11,12).
What are the key properties of methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate has a molecular weight of 218.16 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 130104973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).