ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate

C11H14F2N2O3 — CID 133085207

IUPACethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cc(CN)c(OC)c(C(F)F)n1
InChIInChI=1S/C11H14F2N2O3/c1-3-18-11(16)7-4-6(5-14)9(17-2)8(15-7)10(12)13/h4,10H,3,5,14H2,1-2H3
InChIKeyPFVUYTXXDVTQDQ-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.66
Rot. Bonds5

About ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate

ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate (PubChem CID 133085207) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
PubChem CID133085207
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nameethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cc(CN)c(OC)c(C(F)F)n1
InChIInChI=1S/C11H14F2N2O3/c1-3-18-11(16)7-4-6(5-14)9(17-2)8(15-7)10(12)13/h4,10H,3,5,14H2,1-2H3
InChIKeyPFVUYTXXDVTQDQ-UHFFFAOYSA-N
XLogP1.66
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668307
ethyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660433
2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685610
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147
[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine
CID 130085534
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 5-bromo-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134674811
ethyl 4-(difluoromethyl)-5,6-diiodopyridine-2-carboxylate
CID 134671919

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate (CID 133085207) is ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate is CCOC(=O)c1cc(CN)c(OC)c(C(F)F)n1.
What is the InChIKey of ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The InChIKey is PFVUYTXXDVTQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-3-18-11(16)7-4-6(5-14)9(17-2)8(15-7)10(12)13/h4,10H,3,5,14H2,1-2H3.
What are the key properties of ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate has a molecular weight of 260.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 133085207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).