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

C10H11F3N2O2 — CID 133104158

IUPACethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1c(CN)ncc(C(F)F)c1F
InChIInChI=1S/C10H11F3N2O2/c1-2-17-10(16)7-6(3-14)15-4-5(8(7)11)9(12)13/h4,9H,2-3,14H2,1H3
InChIKeyNEWJSMXCATZNJI-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.79
Rot. Bonds4

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

ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate (PubChem CID 133104158) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
PubChem CID133104158
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Nameethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1c(CN)ncc(C(F)F)c1F
InChIInChI=1S/C10H11F3N2O2/c1-2-17-10(16)7-6(3-14)15-4-5(8(7)11)9(12)13/h4,9H,2-3,14H2,1H3
InChIKeyNEWJSMXCATZNJI-UHFFFAOYSA-N
XLogP1.79
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098516
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
ethyl 2-[3-amino-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134671268
ethyl 2,4-dibromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683196
ethyl 4-chloro-5-(difluoromethyl)-2-methoxypyridine-3-carboxylate
CID 134674054
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 2-bromo-5-(difluoromethyl)-3-methoxypyridine-4-carboxylate
CID 134685048
methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661378
2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 133085035
ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 133084245
ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671019

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate (CID 133104158) is ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate is CCOC(=O)c1c(CN)ncc(C(F)F)c1F.
What is the InChIKey of ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The InChIKey is NEWJSMXCATZNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-17-10(16)7-6(3-14)15-4-5(8(7)11)9(12)13/h4,9H,2-3,14H2,1H3.
What are the key properties of ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate has a molecular weight of 248.20 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate is sourced from PubChem (CID 133104158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).