methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate

C8H7F3N2O2 — CID 130104324

IUPACmethyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(F)c(C(F)F)c1N
InChIInChI=1S/C8H7F3N2O2/c1-15-8(14)3-2-13-7(11)4(5(3)12)6(9)10/h2,6H,1H3,(H2,12,13)
InChIKeyARKTUWNIQRAIIQ-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.53
Rot. Bonds2

About methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate

methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate (PubChem CID 130104324) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate
PubChem CID130104324
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Namemethyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(F)c(C(F)F)c1N
InChIInChI=1S/C8H7F3N2O2/c1-15-8(14)3-2-13-7(11)4(5(3)12)6(9)10/h2,6H,1H3,(H2,12,13)
InChIKeyARKTUWNIQRAIIQ-UHFFFAOYSA-N
XLogP1.53
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300
methyl 5-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103653
methyl 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 134685177
methyl 4-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylate
CID 130080326
methyl 4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133103913
methyl 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133100970
methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
CID 133099916
methyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134673866
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
methyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675414
methyl 6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134675665
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate?
The IUPAC name of methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate (CID 130104324) is methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate?
The canonical SMILES for methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate is COC(=O)c1cnc(F)c(C(F)F)c1N.
What is the InChIKey of methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate?
The InChIKey is ARKTUWNIQRAIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-15-8(14)3-2-13-7(11)4(5(3)12)6(9)10/h2,6H,1H3,(H2,12,13).
What are the key properties of methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate?
methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate has a molecular weight of 220.15 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate is sourced from PubChem (CID 130104324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).