ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate

C10H12F2N2O2 — CID 134672783

IUPACethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cncc(C(F)F)c1N
InChIInChI=1S/C10H12F2N2O2/c1-2-16-8(15)3-6-4-14-5-7(9(6)13)10(11)12/h4-5,10H,2-3H2,1H3,(H2,13,14)
InChIKeyHXVNXOSGURLIQR-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.71
Rot. Bonds4

About ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate

ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134672783) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134672783
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Nameethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cncc(C(F)F)c1N
InChIInChI=1S/C10H12F2N2O2/c1-2-16-8(15)3-6-4-14-5-7(9(6)13)10(11)12/h4-5,10H,2-3H2,1H3,(H2,13,14)
InChIKeyHXVNXOSGURLIQR-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-[4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134670668
ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134671707
ethyl 2-[3-amino-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134671268
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate
CID 133098447
ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134665311
ethyl 3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carboxylate
CID 130098237
ethyl 2-[5-(difluoromethyl)-2-fluoro-6-iodo-3-pyridinyl]acetate
CID 133105380
ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669265
ethyl 2-[5-(difluoromethyl)-2-methyl-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029308
ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683370
ethyl 2-[4-amino-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134670665

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate (CID 134672783) is ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1cncc(C(F)F)c1N.
What is the InChIKey of ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is HXVNXOSGURLIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-2-16-8(15)3-6-4-14-5-7(9(6)13)10(11)12/h4-5,10H,2-3H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[4-amino-5-(difluoromethyl)-3-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-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134672783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).