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

C10H12F2N2O2 — CID 134665311

IUPACethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(N)ccc1C(F)F
InChIInChI=1S/C10H12F2N2O2/c1-2-16-9(15)5-7-6(10(11)12)3-4-8(13)14-7/h3-4,10H,2,5H2,1H3,(H2,13,14)
InChIKeyQQMLONVYSMTHKQ-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.71
Rot. Bonds4

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

ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134665311) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134665311
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Nameethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(N)ccc1C(F)F
InChIInChI=1S/C10H12F2N2O2/c1-2-16-9(15)5-7-6(10(11)12)3-4-8(13)14-7/h3-4,10H,2,5H2,1H3,(H2,13,14)
InChIKeyQQMLONVYSMTHKQ-UHFFFAOYSA-N
XLogP1.71
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264
ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134683798
ethyl 2-[6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134672914
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432
ethyl 2-[3-amino-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134671268
ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
CID 134661846
ethyl 2-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 133090947
ethyl 2-[4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134670668
ethyl 2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673847
ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134672783

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate (CID 134665311) is ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1nc(N)ccc1C(F)F.
What is the InChIKey of ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is QQMLONVYSMTHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-2-16-9(15)5-7-6(10(11)12)3-4-8(13)14-7/h3-4,10H,2,5H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 230.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134665311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).