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

C10H11F3N2O2 — CID 133104358

IUPACmethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(F)cc(CN)nc1C(F)F
InChIInChI=1S/C10H11F3N2O2/c1-17-8(16)3-6-7(11)2-5(4-14)15-9(6)10(12)13/h2,10H,3-4,14H2,1H3
InChIKeyRRRRXSTZHFCMFD-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.33
Rot. Bonds4

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

methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate (PubChem CID 133104358) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
PubChem CID133104358
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Namemethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(F)cc(CN)nc1C(F)F
InChIInChI=1S/C10H11F3N2O2/c1-17-8(16)3-6-7(11)2-5(4-14)15-9(6)10(12)13/h2,10H,3-4,14H2,1H3
InChIKeyRRRRXSTZHFCMFD-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662110
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133104847
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104357
methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134676136
methyl 2-[4-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134673667
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626
methyl 2-[5-amino-4-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133088393
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661443
methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134684328
methyl 2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134667557
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133102439
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate (CID 133104358) is methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate is COC(=O)Cc1c(F)cc(CN)nc1C(F)F.
What is the InChIKey of methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate?
The InChIKey is RRRRXSTZHFCMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-17-8(16)3-6-7(11)2-5(4-14)15-9(6)10(12)13/h2,10H,3-4,14H2,1H3.
What are the key properties of methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate?
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate has a molecular weight of 248.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate is sourced from PubChem (CID 133104358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).