methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate

C14H13FN2O2 — CID 83322074

IUPACmethyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NCc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-19-14(18)12-6-7-16-9-13(12)17-8-10-2-4-11(15)5-3-10/h2-7,9,17H,8H2,1H3
InChIKeyCXAOIUSPJDIZML-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.62
Rot. Bonds4

About methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate

methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate (PubChem CID 83322074) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate
PubChem CID83322074
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Namemethyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NCc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-19-14(18)12-6-7-16-9-13(12)17-8-10-2-4-11(15)5-3-10/h2-7,9,17H,8H2,1H3
InChIKeyCXAOIUSPJDIZML-UHFFFAOYSA-N
XLogP2.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate (CID 83322074) is methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate is COC(=O)c1ccncc1NCc1ccc(F)cc1.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate?
The InChIKey is CXAOIUSPJDIZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-14(18)12-6-7-16-9-13(12)17-8-10-2-4-11(15)5-3-10/h2-7,9,17H,8H2,1H3.
What are the key properties of methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate?
methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate has a molecular weight of 260.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 83322074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).