methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate

C15H16N2O4 — CID 107713848

IUPACmethyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2ccccc2CCO)c1N
InChIInChI=1S/C15H16N2O4/c1-20-15(19)11-6-8-17-14(13(11)16)21-12-5-3-2-4-10(12)7-9-18/h2-6,8,18H,7,9,16H2,1H3
InChIKeySDODKFSLNNPNRW-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.78
Rot. Bonds5

About methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate

methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate (PubChem CID 107713848) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate
PubChem CID107713848
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2ccccc2CCO)c1N
InChIInChI=1S/C15H16N2O4/c1-20-15(19)11-6-8-17-14(13(11)16)21-12-5-3-2-4-10(12)7-9-18/h2-6,8,18H,7,9,16H2,1H3
InChIKeySDODKFSLNNPNRW-UHFFFAOYSA-N
XLogP1.78
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate
CID 107713839
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285352
methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 112588507
methyl 3-amino-2-(2-cyclobutylethoxy)pyridine-4-carboxylate
CID 114157712
2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol
CID 107713600
methyl 3-amino-2-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylate
CID 81346232
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107711711
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate
CID 116802609
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107712102

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate (CID 107713848) is methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate is COC(=O)c1ccnc(Oc2ccccc2CCO)c1N.
What is the InChIKey of methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate?
The InChIKey is SDODKFSLNNPNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-15(19)11-6-8-17-14(13(11)16)21-12-5-3-2-4-10(12)7-9-18/h2-6,8,18H,7,9,16H2,1H3.
What are the key properties of methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate?
methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate is sourced from PubChem (CID 107713848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).