methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate

C8H7F3N2O2 — CID 130104314

IUPACmethyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)F)c(F)c1N
InChIInChI=1S/C8H7F3N2O2/c1-15-8(14)6-5(12)4(9)3(2-13-6)7(10)11/h2,7H,12H2,1H3
InChIKeyZZCBJAMFHVRAHZ-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.53
Rot. Bonds2

About methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate

methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate (PubChem CID 130104314) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
PubChem CID130104314
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Namemethyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)F)c(F)c1N
InChIInChI=1S/C8H7F3N2O2/c1-15-8(14)6-5(12)4(9)3(2-13-6)7(10)11/h2,7H,12H2,1H3
InChIKeyZZCBJAMFHVRAHZ-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

3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130104261
methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102191
methyl 4-amino-3-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102966
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130110498
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 134673817
methyl 4-bromo-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134667411
methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
methyl 4-amino-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134685827

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate (CID 130104314) is methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate is COC(=O)c1ncc(C(F)F)c(F)c1N.
What is the InChIKey of methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The InChIKey is ZZCBJAMFHVRAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-15-8(14)6-5(12)4(9)3(2-13-6)7(10)11/h2,7H,12H2,1H3.
What are the key properties of methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-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 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate is sourced from PubChem (CID 130104314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).