ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate

C10H12F2N2O3 — CID 134683234

IUPACethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)c(OC)nc1C(F)F
InChIInChI=1S/C10H12F2N2O3/c1-3-17-10(15)5-4-6(13)9(16-2)14-7(5)8(11)12/h4,8H,3,13H2,1-2H3
InChIKeyIWJATBXEYHYROC-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.79
Rot. Bonds4

About ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate

ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate (PubChem CID 134683234) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
PubChem CID134683234
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Nameethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)c(OC)nc1C(F)F
InChIInChI=1S/C10H12F2N2O3/c1-3-17-10(15)5-4-6(13)9(16-2)14-7(5)8(11)12/h4,8H,3,13H2,1-2H3
InChIKeyIWJATBXEYHYROC-UHFFFAOYSA-N
XLogP1.79
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
ethyl 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carboxylate
CID 133101859
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
CID 133105613
ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
CID 133102155
methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426
6-(difluoromethyl)-2,5-dimethoxypyridin-3-amine
CID 130100784
ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134658559
ethyl 2-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-3-carboxylate
CID 133100322

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate (CID 134683234) is ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate is CCOC(=O)c1cc(N)c(OC)nc1C(F)F.
What is the InChIKey of ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
The InChIKey is IWJATBXEYHYROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-3-17-10(15)5-4-6(13)9(16-2)14-7(5)8(11)12/h4,8H,3,13H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate has a molecular weight of 246.21 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 134683234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).