(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate

C15H15FN2O2 — CID 115498727

IUPAC(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)Oc2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2O2/c1-10(2)17-14-5-3-4-13(18-14)15(19)20-12-8-6-11(16)7-9-12/h3-10H,1-2H3,(H,17,18)
InChIKeyCUQSAFBQNOKUQZ-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.26
Rot. Bonds4

About (4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate

(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate (PubChem CID 115498727) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is (4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
PubChem CID115498727
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)Oc2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2O2/c1-10(2)17-14-5-3-4-13(18-14)15(19)20-12-8-6-11(16)7-9-12/h3-10H,1-2H3,(H,17,18)
InChIKeyCUQSAFBQNOKUQZ-UHFFFAOYSA-N
XLogP3.26
TPSA51.22 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate
CID 3652370
(3,5-dimethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498721
(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498680
(2-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498775
(1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 116803064
2,2,2-trifluoroethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 113323737
propyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498670
(1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498845
oxolan-3-yl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 113323755
2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 106205643
N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498329
2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498736

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of (4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate (CID 115498727) is (4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for (4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate is CC(C)Nc1cccc(C(=O)Oc2ccc(F)cc2)n1.
What is the InChIKey of (4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is CUQSAFBQNOKUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10(2)17-14-5-3-4-13(18-14)15(19)20-12-8-6-11(16)7-9-12/h3-10H,1-2H3,(H,17,18).
What are the key properties of (4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 115498727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).