methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate

C11H14F2N2O3 — CID 133085269

IUPACmethyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(CN)c(OC)c1C(F)F
InChIInChI=1S/C11H14F2N2O3/c1-17-8(16)3-6-5-15-7(4-14)10(18-2)9(6)11(12)13/h5,11H,3-4,14H2,1-2H3
InChIKeyWACMIHIHBPGNFQ-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.20
Rot. Bonds5

About methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate

methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate (PubChem CID 133085269) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
PubChem CID133085269
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Namemethyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(CN)c(OC)c1C(F)F
InChIInChI=1S/C11H14F2N2O3/c1-17-8(16)3-6-5-15-7(4-14)10(18-2)9(6)11(12)13/h5,11H,3-4,14H2,1-2H3
InChIKeyWACMIHIHBPGNFQ-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086983
ethyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134678954
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134671472
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
methyl 2-[6-(aminomethyl)-4-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679834
methyl 2-[3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086982
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104098
methyl 2-[2-(aminomethyl)-3-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134663917
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936
2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate (CID 133085269) is methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate is COC(=O)Cc1cnc(CN)c(OC)c1C(F)F.
What is the InChIKey of methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate?
The InChIKey is WACMIHIHBPGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-17-8(16)3-6-5-15-7(4-14)10(18-2)9(6)11(12)13/h5,11H,3-4,14H2,1-2H3.
What are the key properties of methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate?
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate has a molecular weight of 260.24 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 133085269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).