methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate

C9H9F3N2O2 — CID 133104484

IUPACmethyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(CN)cc(F)c1C(F)F
InChIInChI=1S/C9H9F3N2O2/c1-16-9(15)7-6(8(11)12)5(10)2-4(3-13)14-7/h2,8H,3,13H2,1H3
InChIKeyZXJPEPJAPKUFGN-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.40
Rot. Bonds3

About methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate

methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate (PubChem CID 133104484) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
PubChem CID133104484
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Namemethyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(CN)cc(F)c1C(F)F
InChIInChI=1S/C9H9F3N2O2/c1-16-9(15)7-6(8(11)12)5(10)2-4(3-13)14-7/h2,8H,3,13H2,1H3
InChIKeyZXJPEPJAPKUFGN-UHFFFAOYSA-N
XLogP1.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carboxylate
CID 133104560
[5-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080559
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate
CID 133105053
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104358
methyl 6-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134673656
methyl 6-bromo-4-chloro-3-(difluoromethyl)pyridine-2-carboxylate
CID 130108301
methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 133098702
methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090590
methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
CID 133104155
methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100734
methyl 2-(aminomethyl)-6-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134685150

Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate (CID 133104484) is methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate is COC(=O)c1nc(CN)cc(F)c1C(F)F.
What is the InChIKey of methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The InChIKey is ZXJPEPJAPKUFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-16-9(15)7-6(8(11)12)5(10)2-4(3-13)14-7/h2,8H,3,13H2,1H3.
What are the key properties of methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate has a molecular weight of 234.18 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate is sourced from PubChem (CID 133104484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).