ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate

C10H12F2N2O3 — CID 134658643

IUPACethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)nc(OC)c1N
InChIInChI=1S/C10H12F2N2O3/c1-3-17-10(15)5-4-6(8(11)12)14-9(16-2)7(5)13/h4,8H,3,13H2,1-2H3
InChIKeyGLZUXSQULAVEAH-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.79
Rot. Bonds4

About ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate

ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate (PubChem CID 134658643) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
PubChem CID134658643
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Nameethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)nc(OC)c1N
InChIInChI=1S/C10H12F2N2O3/c1-3-17-10(15)5-4-6(8(11)12)14-9(16-2)7(5)13/h4,8H,3,13H2,1-2H3
InChIKeyGLZUXSQULAVEAH-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 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
ethyl 6-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 133105829
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
ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134682660
ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 133100411
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate (CID 134658643) is ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate is CCOC(=O)c1cc(C(F)F)nc(OC)c1N.
What is the InChIKey of ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate?
The InChIKey is GLZUXSQULAVEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-3-17-10(15)5-4-6(8(11)12)14-9(16-2)7(5)13/h4,8H,3,13H2,1-2H3.
What are the key properties of ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate?
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-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 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate is sourced from PubChem (CID 134658643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).