methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate

C14H13FN2O2 — CID 58882991

IUPACmethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1N
InChIInChI=1S/C14H13FN2O2/c1-19-14(18)13-12(16)7-10(8-17-13)6-9-2-4-11(15)5-3-9/h2-5,7-8H,6,16H2,1H3
InChIKeyMVVBYQHXXWEYNJ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.18
Rot. Bonds3

About methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate

methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate (PubChem CID 58882991) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate
PubChem CID58882991
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Namemethyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1N
InChIInChI=1S/C14H13FN2O2/c1-19-14(18)13-12(16)7-10(8-17-13)6-9-2-4-11(15)5-3-9/h2-5,7-8H,6,16H2,1H3
InChIKeyMVVBYQHXXWEYNJ-UHFFFAOYSA-N
XLogP2.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate (CID 58882991) is methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate is COC(=O)c1ncc(Cc2ccc(F)cc2)cc1N.
What is the InChIKey of methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?
The InChIKey is MVVBYQHXXWEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-14(18)13-12(16)7-10(8-17-13)6-9-2-4-11(15)5-3-9/h2-5,7-8H,6,16H2,1H3.
What are the key properties of methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate?
methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate has a molecular weight of 260.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 58882991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).