ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate

C15H15FN2O2 — CID 42637772

IUPACethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1N
InChIInChI=1S/C15H15FN2O2/c1-2-20-15(19)14-13(17)8-11(9-18-14)7-10-3-5-12(16)6-4-10/h3-6,8-9H,2,7,17H2,1H3
InChIKeyKHNVQBBGUFUTMB-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.57
Rot. Bonds4

About ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate

ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate (PubChem CID 42637772) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate
PubChem CID42637772
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Nameethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1N
InChIInChI=1S/C15H15FN2O2/c1-2-20-15(19)14-13(17)8-11(9-18-14)7-10-3-5-12(16)6-4-10/h3-6,8-9H,2,7,17H2,1H3
InChIKeyKHNVQBBGUFUTMB-UHFFFAOYSA-N
XLogP2.57
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate (CID 42637772) is ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate is CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1N.
What is the InChIKey of ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?
The InChIKey is KHNVQBBGUFUTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-20-15(19)14-13(17)8-11(9-18-14)7-10-3-5-12(16)6-4-10/h3-6,8-9H,2,7,17H2,1H3.
What are the key properties of ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?
ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 42637772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).