methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate

C13H11FN2O2 — CID 138986052

IUPACmethyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate
SMILESCOC(=O)c1ccc(-c2cccc(N)n2)c(F)c1
InChIInChI=1S/C13H11FN2O2/c1-18-13(17)8-5-6-9(10(14)7-8)11-3-2-4-12(15)16-11/h2-7H,1H3,(H2,15,16)
InChIKeyKZJCSFAAZQOOQO-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.26
Rot. Bonds2

About methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate

methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate (PubChem CID 138986052) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate
PubChem CID138986052
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Namemethyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate
SMILESCOC(=O)c1ccc(-c2cccc(N)n2)c(F)c1
InChIInChI=1S/C13H11FN2O2/c1-18-13(17)8-5-6-9(10(14)7-8)11-3-2-4-12(15)16-11/h2-7H,1H3,(H2,15,16)
InChIKeyKZJCSFAAZQOOQO-UHFFFAOYSA-N
XLogP2.26
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate?
The IUPAC name of methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate (CID 138986052) is methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate.
What is the SMILES notation for methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate?
The canonical SMILES for methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate is COC(=O)c1ccc(-c2cccc(N)n2)c(F)c1.
What is the InChIKey of methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate?
The InChIKey is KZJCSFAAZQOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-18-13(17)8-5-6-9(10(14)7-8)11-3-2-4-12(15)16-11/h2-7H,1H3,(H2,15,16).
What are the key properties of methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate?
methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate has a molecular weight of 246.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-amino-2-pyridinyl)-3-fluorobenzoate is sourced from PubChem (CID 138986052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).