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

C14H11FN2O3 — CID 3965403

IUPACmethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H11FN2O3/c1-20-14(19)12-4-2-3-11(17-12)13(18)16-10-7-5-9(15)6-8-10/h2-8H,1H3,(H,16,18)
InChIKeyDKNBUVIZHMLXJE-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.26
Rot. Bonds3

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

methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 3965403) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID3965403
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Namemethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H11FN2O3/c1-20-14(19)12-4-2-3-11(17-12)13(18)16-10-7-5-9(15)6-8-10/h2-8H,1H3,(H,16,18)
InChIKeyDKNBUVIZHMLXJE-UHFFFAOYSA-N
XLogP2.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
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 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate (CID 3965403) is methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is DKNBUVIZHMLXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-20-14(19)12-4-2-3-11(17-12)13(18)16-10-7-5-9(15)6-8-10/h2-8H,1H3,(H,16,18).
What are the key properties of methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 274.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 3965403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).