methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate

C8H8F2N2O3 — CID 130104947

IUPACmethyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(O)c(N)nc1C(F)F
InChIInChI=1S/C8H8F2N2O3/c1-15-8(14)3-2-4(13)7(11)12-5(3)6(9)10/h2,6,13H,1H3,(H2,11,12)
InChIKeyPWCPGJMKQSMPCU-UHFFFAOYSA-N
MW218.16 g/mol
LogP1.09
Rot. Bonds2

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

methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate (PubChem CID 130104947) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
PubChem CID130104947
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Namemethyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(O)c(N)nc1C(F)F
InChIInChI=1S/C8H8F2N2O3/c1-15-8(14)3-2-4(13)7(11)12-5(3)6(9)10/h2,6,13H,1H3,(H2,11,12)
InChIKeyPWCPGJMKQSMPCU-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

methyl 6-(bromomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130084949
methyl 2-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133102502
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415
methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426
methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098701
methyl 5-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 134675061
methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate
CID 130105552
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 2-(difluoromethyl)-3-hydroxy-6-methoxypyridine-4-carboxylate
CID 133103210
methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300
methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134684977
methyl 6-(chloromethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 130082356

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate (CID 130104947) is methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate is COC(=O)c1cc(O)c(N)nc1C(F)F.
What is the InChIKey of methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate?
The InChIKey is PWCPGJMKQSMPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-15-8(14)3-2-4(13)7(11)12-5(3)6(9)10/h2,6,13H,1H3,(H2,11,12).
What are the key properties of methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate?
methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-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 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate is sourced from PubChem (CID 130104947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).