methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate

C9H10F2N2O2 — CID 134668410

IUPACmethyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(N)c(C(F)F)c1
InChIInChI=1S/C9H10F2N2O2/c1-15-7(14)3-5-2-6(8(10)11)9(12)13-4-5/h2,4,8H,3H2,1H3,(H2,12,13)
InChIKeyDPPRGXMFXBIDFW-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.32
Rot. Bonds3

About methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate

methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134668410) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134668410
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Namemethyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(N)c(C(F)F)c1
InChIInChI=1S/C9H10F2N2O2/c1-15-7(14)3-5-2-6(8(10)11)9(12)13-4-5/h2,4,8H,3H2,1H3,(H2,12,13)
InChIKeyDPPRGXMFXBIDFW-UHFFFAOYSA-N
XLogP1.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate
CID 130098249
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134684791
methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133093457
methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134661772
methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 171029463
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134683940
methyl 2-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361
methyl 2-[5-amino-6-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134684597
methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133088360
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 130098456
methyl 2-[6-amino-5-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134677170

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate (CID 134668410) is methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cnc(N)c(C(F)F)c1.
What is the InChIKey of methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is DPPRGXMFXBIDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-15-7(14)3-5-2-6(8(10)11)9(12)13-4-5/h2,4,8H,3H2,1H3,(H2,12,13).
What are the key properties of methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 216.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134668410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).