4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid

C8H9FN2O3 — CID 66920938

IUPAC4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid
SMILESCCOc1nc(C(=O)O)cc(N)c1F
InChIInChI=1S/C8H9FN2O3/c1-2-14-7-6(9)4(10)3-5(11-7)8(12)13/h3H,2H2,1H3,(H2,10,11)(H,12,13)
InChIKeyDYIXOJFCYHMRER-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.90
Rot. Bonds3

About 4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid

4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid (PubChem CID 66920938) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid
PubChem CID66920938
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid
SMILESCCOc1nc(C(=O)O)cc(N)c1F
InChIInChI=1S/C8H9FN2O3/c1-2-14-7-6(9)4(10)3-5(11-7)8(12)13/h3H,2H2,1H3,(H2,10,11)(H,12,13)
InChIKeyDYIXOJFCYHMRER-UHFFFAOYSA-N
XLogP0.90
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5,6-difluoropyridine-2-carboxylic acid
CID 70495785
4-amino-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 118811846
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
2-ethoxy-6-ethylpyrimidine-4-carboxylic acid
CID 66933435
5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid
CID 58503948
5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 114408919
5-ethoxy-6-methylpyrazine-2-carboxylic acid
CID 170068148
5-amino-6-butoxypyridine-2-carboxylic acid
CID 114408773
6-ethoxy-2-ethylpyrimidine-4-carboxylic acid
CID 83879725
2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid
CID 83883634
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
2-ethoxy-3,4,6-trifluoropyridine
CID 173151016

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid (CID 66920938) is 4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid is CCOc1nc(C(=O)O)cc(N)c1F.
What is the InChIKey of 4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid?
The InChIKey is DYIXOJFCYHMRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-2-14-7-6(9)4(10)3-5(11-7)8(12)13/h3H,2H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid?
4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid has a molecular weight of 200.17 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 66920938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).