methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate

C15H16N2O2 — CID 110282305

IUPACmethyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(CCN)c2)ccn1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)14-10-13(6-8-17-14)12-4-2-3-11(9-12)5-7-16/h2-4,6,8-10H,5,7,16H2,1H3
InChIKeyOYTVFPXTIGZTCY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.04
Rot. Bonds4

About methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate

methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate (PubChem CID 110282305) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate
PubChem CID110282305
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(CCN)c2)ccn1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)14-10-13(6-8-17-14)12-4-2-3-11(9-12)5-7-16/h2-4,6,8-10H,5,7,16H2,1H3
InChIKeyOYTVFPXTIGZTCY-UHFFFAOYSA-N
XLogP2.04
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate (CID 110282305) is methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1cc(-c2cccc(CCN)c2)ccn1.
What is the InChIKey of methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is OYTVFPXTIGZTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-15(18)14-10-13(6-8-17-14)12-4-2-3-11(9-12)5-7-16/h2-4,6,8-10H,5,7,16H2,1H3.
What are the key properties of methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate?
methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 110282305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).