ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate

C15H13FN2O3 — CID 3279455

IUPACethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H13FN2O3/c1-2-21-15(20)13-5-3-4-12(18-13)14(19)17-11-8-6-10(16)7-9-11/h3-9H,2H2,1H3,(H,17,19)
InChIKeyYDPKPCFYDIJNEM-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.65
Rot. Bonds4

About ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate

ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 3279455) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID3279455
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Nameethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H13FN2O3/c1-2-21-15(20)13-5-3-4-12(18-13)14(19)17-11-8-6-10(16)7-9-11/h3-9H,2H2,1H3,(H,17,19)
InChIKeyYDPKPCFYDIJNEM-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate (CID 3279455) is ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is YDPKPCFYDIJNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-2-21-15(20)13-5-3-4-12(18-13)14(19)17-11-8-6-10(16)7-9-11/h3-9H,2H2,1H3,(H,17,19).
What are the key properties of ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 288.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 3279455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).