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

C9H9F3N2O2 — CID 133104155

IUPACmethyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cnc(CN)c1C(F)F
InChIInChI=1S/C9H9F3N2O2/c1-16-9(15)6-4(10)3-14-5(2-13)7(6)8(11)12/h3,8H,2,13H2,1H3
InChIKeyWDUSVOKMZMYRJU-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.40
Rot. Bonds3

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

methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate (PubChem CID 133104155) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
PubChem CID133104155
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Namemethyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cnc(CN)c1C(F)F
InChIInChI=1S/C9H9F3N2O2/c1-16-9(15)6-4(10)3-14-5(2-13)7(6)8(11)12/h3,8H,2,13H2,1H3
InChIKeyWDUSVOKMZMYRJU-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 2-(aminomethyl)-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134675412
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
CID 133105528
ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
CID 133105223
methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661378
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098516
ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133104158
[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine
CID 130099744
2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130081925
methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133104484

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate?
The IUPAC name of methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate (CID 133104155) is methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate?
The canonical SMILES for methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate is COC(=O)c1c(F)cnc(CN)c1C(F)F.
What is the InChIKey of methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate?
The InChIKey is WDUSVOKMZMYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-16-9(15)6-4(10)3-14-5(2-13)7(6)8(11)12/h3,8H,2,13H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate?
methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-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 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate is sourced from PubChem (CID 133104155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).