methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate

C14H12FN3O3 — CID 171913696

IUPACmethyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2cc(C(N)=O)ccc2F)nc1
InChIInChI=1S/C14H12FN3O3/c1-21-14(20)9-3-5-12(17-7-9)18-11-6-8(13(16)19)2-4-10(11)15/h2-7H,1H3,(H2,16,19)(H,17,18)
InChIKeyKWMXRINILYGULW-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.85
Rot. Bonds4

About methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate

methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate (PubChem CID 171913696) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate
PubChem CID171913696
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Namemethyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2cc(C(N)=O)ccc2F)nc1
InChIInChI=1S/C14H12FN3O3/c1-21-14(20)9-3-5-12(17-7-9)18-11-6-8(13(16)19)2-4-10(11)15/h2-7H,1H3,(H2,16,19)(H,17,18)
InChIKeyKWMXRINILYGULW-UHFFFAOYSA-N
XLogP1.85
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate (CID 171913696) is methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate is COC(=O)c1ccc(Nc2cc(C(N)=O)ccc2F)nc1.
What is the InChIKey of methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is KWMXRINILYGULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-21-14(20)9-3-5-12(17-7-9)18-11-6-8(13(16)19)2-4-10(11)15/h2-7H,1H3,(H2,16,19)(H,17,18).
What are the key properties of methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate?
methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 289.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 171913696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).