ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate

C15H16N2O2 — CID 137423081

IUPACethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cc(C)cc(N)c2)n1
InChIInChI=1S/C15H16N2O2/c1-3-19-15(18)14-6-4-5-13(17-14)11-7-10(2)8-12(16)9-11/h4-9H,3,16H2,1-2H3
InChIKeyINVFPGFMULSBEL-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.82
Rot. Bonds3

About ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate

ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate (PubChem CID 137423081) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate
PubChem CID137423081
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Nameethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cc(C)cc(N)c2)n1
InChIInChI=1S/C15H16N2O2/c1-3-19-15(18)14-6-4-5-13(17-14)11-7-10(2)8-12(16)9-11/h4-9H,3,16H2,1-2H3
InChIKeyINVFPGFMULSBEL-UHFFFAOYSA-N
XLogP2.82
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-[4-[4-[4-[2,6-bis(6-ethoxycarbonyl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]-6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate
CID 177391937
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 6-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]pyridine-2-carboxylate
CID 90431102
ethane;ethyl 6-(2-bromocyclopenten-1-yl)pyridine-2-carboxylate
CID 143033870
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
ethyl 6,8-dimethylquinoline-2-carboxylate
CID 102310352
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
ethyl 6-(4-ethoxy-4-oxobut-1-enyl)pyridine-2-carboxylate
CID 170796783

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate (CID 137423081) is ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate is CCOC(=O)c1cccc(-c2cc(C)cc(N)c2)n1.
What is the InChIKey of ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate?
The InChIKey is INVFPGFMULSBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-19-15(18)14-6-4-5-13(17-14)11-7-10(2)8-12(16)9-11/h4-9H,3,16H2,1-2H3.
What are the key properties of ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate?
ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 137423081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).