ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate

C14H13FN2O2 — CID 140766864

IUPACethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate
SMILESCCOC(=O)c1cccc(-c2cccc(N)n2)c1F
InChIInChI=1S/C14H13FN2O2/c1-2-19-14(18)10-6-3-5-9(13(10)15)11-7-4-8-12(16)17-11/h3-8H,2H2,1H3,(H2,16,17)
InChIKeyGAYADCNTQXNVHJ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.65
Rot. Bonds3

About ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate

ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate (PubChem CID 140766864) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate.

Molecular Properties

Compound Nameethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate
PubChem CID140766864
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Nameethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate
SMILESCCOC(=O)c1cccc(-c2cccc(N)n2)c1F
InChIInChI=1S/C14H13FN2O2/c1-2-19-14(18)10-6-3-5-9(13(10)15)11-7-4-8-12(16)17-11/h3-8H,2H2,1H3,(H2,16,17)
InChIKeyGAYADCNTQXNVHJ-UHFFFAOYSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride
CID 23437677
ethyl 3-amino-2-fluorobenzoate
CID 46311258
ethyl 2,3-difluorobenzoate
CID 2761174
ethyl 6-amino-2-fluoropyridine-3-carboxylate
CID 118545226
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 3-(3-bromopropanoyl)-2-fluorobenzoate
CID 134642030
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252
(3-ethoxycarbonyl-2-fluorophenoxy)boronic acid
CID 150485797
ethyl 3-[6-[[(7R)-2,2-difluoro-7-methyl-6H-furo[2,3-f][1,3]benzodioxole-7-carbonyl]amino]-2-pyridinyl]-2-fluorobenzoate
CID 140767126
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 3,7-difluoro-2H-indazole-6-carboxylate
CID 171474866

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate?
The IUPAC name of ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate (CID 140766864) is ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate.
What is the SMILES notation for ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate?
The canonical SMILES for ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate is CCOC(=O)c1cccc(-c2cccc(N)n2)c1F.
What is the InChIKey of ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate?
The InChIKey is GAYADCNTQXNVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-2-19-14(18)10-6-3-5-9(13(10)15)11-7-4-8-12(16)17-11/h3-8H,2H2,1H3,(H2,16,17).
What are the key properties of ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate?
ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate has a molecular weight of 260.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate is sourced from PubChem (CID 140766864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).