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

C8H7F3N2O2 — CID 130104300

IUPACmethyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(F)F)c(N)c1F
InChIInChI=1S/C8H7F3N2O2/c1-15-8(14)3-2-13-6(7(10)11)5(12)4(3)9/h2,7H,12H2,1H3
InChIKeyARNOZDXSNFOSDE-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.53
Rot. Bonds2

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

methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate (PubChem CID 130104300) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
PubChem CID130104300
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Namemethyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(F)F)c(N)c1F
InChIInChI=1S/C8H7F3N2O2/c1-15-8(14)3-2-13-6(7(10)11)5(12)4(3)9/h2,7H,12H2,1H3
InChIKeyARNOZDXSNFOSDE-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

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Related Compounds

methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 130104324
methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate
CID 130086264
2-(difluoromethyl)-4-fluoro-5-methoxypyridin-3-amine
CID 130103884
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate
CID 130094865
methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130104947
methyl 4-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylate
CID 130080326
methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate
CID 130080286
methyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134673866
methyl 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylate
CID 130087629
5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130104215

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate (CID 130104300) is methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate is COC(=O)c1cnc(C(F)F)c(N)c1F.
What is the InChIKey of methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The InChIKey is ARNOZDXSNFOSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-15-8(14)3-2-13-6(7(10)11)5(12)4(3)9/h2,7H,12H2,1H3.
What are the key properties of methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
methyl 5-amino-6-(difluoromethyl)-4-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 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate is sourced from PubChem (CID 130104300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).