6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid

C15H16N2O3 — CID 106904547

IUPAC6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCCOc2ccccc2)n1
InChIInChI=1S/C15H16N2O3/c18-15(19)14-8-4-5-12(17-14)11-16-9-10-20-13-6-2-1-3-7-13/h1-8,16H,9-11H2,(H,18,19)
InChIKeySBKNKTGNLVUPSA-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.95
Rot. Bonds7

About 6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid

6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904547) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid
PubChem CID106904547
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCCOc2ccccc2)n1
InChIInChI=1S/C15H16N2O3/c18-15(19)14-8-4-5-12(17-14)11-16-9-10-20-13-6-2-1-3-7-13/h1-8,16H,9-11H2,(H,18,19)
InChIKeySBKNKTGNLVUPSA-UHFFFAOYSA-N
XLogP1.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl 6-propan-2-YL pyridine-2,6-dicarboxylate
CID 3492878
2-Ethyl 6-phenyl pyridine-2,6-dicarboxylate
CID 4032767
6-((4-Chlorophenoxy)methyl)picolinic acid
CID 106903207
{3-[(6-Phenoxymethyl-pyridine-2-carbonyl)-amino]-phenyl}-acetic acid
CID 44397871
4-[(4-Methoxyphenyl)methylamino]pyridine-2,6-dicarboxylic acid
CID 137639309
4-(Furan-2-ylmethylamino)pyridine-2,6-dicarboxylic acid
CID 137644054
4-(4-Methoxyanilino)pyridine-2,6-dicarboxylic acid
CID 137660312
6-(2-Furylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558265
6-[(4-Methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 43558323
2-Pyridinecarboxylic acid, phenyl ester
CID 185597
3-Ethoxy-6-methylpyridine-2-carboxylic acid
CID 22923857
6-(Propan-2-yloxy)pyridine-2-carboxylic acid
CID 59323545

Frequently Asked Questions

What is the IUPAC name of 6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid (CID 106904547) is 6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNCCOc2ccccc2)n1.
What is the InChIKey of 6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is SBKNKTGNLVUPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(19)14-8-4-5-12(17-14)11-16-9-10-20-13-6-2-1-3-7-13/h1-8,16H,9-11H2,(H,18,19).
What are the key properties of 6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid?
6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).