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

C11H14F2N2O2 — CID 133084326

IUPACmethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(C)c1CN
InChIInChI=1S/C11H14F2N2O2/c1-6-3-9(11(12)13)15-8(7(6)5-14)4-10(16)17-2/h3,11H,4-5,14H2,1-2H3
InChIKeyXKAZEKAUHXPABZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.50
Rot. Bonds4

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

methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate (PubChem CID 133084326) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
PubChem CID133084326
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Namemethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(C)c1CN
InChIInChI=1S/C11H14F2N2O2/c1-6-3-9(11(12)13)15-8(7(6)5-14)4-10(16)17-2/h3,11H,4-5,14H2,1-2H3
InChIKeyXKAZEKAUHXPABZ-UHFFFAOYSA-N
XLogP1.50
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133104847
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133084710
methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134660886
methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
CID 134684404
methyl 2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134667557
methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102109
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130090638
methyl 2-[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134670856
methyl 2-[3-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 133084308
methyl 2-[4-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134667633
methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 171029438
methyl 2-[4-amino-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134683257

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate (CID 133084326) is methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate is COC(=O)Cc1nc(C(F)F)cc(C)c1CN.
What is the InChIKey of methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate?
The InChIKey is XKAZEKAUHXPABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-6-3-9(11(12)13)15-8(7(6)5-14)4-10(16)17-2/h3,11H,4-5,14H2,1-2H3.
What are the key properties of methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate?
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate has a molecular weight of 244.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 133084326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).