methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate

C15H13FN2O3 — CID 46394497

IUPACmethyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)c(F)c2)n1
InChIInChI=1S/C15H13FN2O3/c1-9-6-7-10(8-11(9)16)17-14(19)12-4-3-5-13(18-12)15(20)21-2/h3-8H,1-2H3,(H,17,19)
InChIKeyRYAUFGWSSVIDPF-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.57
Rot. Bonds3

About methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 46394497) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID46394497
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Namemethyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)c(F)c2)n1
InChIInChI=1S/C15H13FN2O3/c1-9-6-7-10(8-11(9)16)17-14(19)12-4-3-5-13(18-12)15(20)21-2/h3-8H,1-2H3,(H,17,19)
InChIKeyRYAUFGWSSVIDPF-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate (CID 46394497) is methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2ccc(C)c(F)c2)n1.
What is the InChIKey of methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is RYAUFGWSSVIDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-6-7-10(8-11(9)16)17-14(19)12-4-3-5-13(18-12)15(20)21-2/h3-8H,1-2H3,(H,17,19).
What are the key properties of methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 288.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 46394497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).