methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate

C14H12N2O4 — CID 168652704

IUPACmethyl 2-(3-formamidophenoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2cccc(NC=O)c2)c1
InChIInChI=1S/C14H12N2O4/c1-19-14(18)10-5-6-15-13(7-10)20-12-4-2-3-11(8-12)16-9-17/h2-9H,1H3,(H,16,17)
InChIKeyFMVJCXCNMMODLM-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.23
Rot. Bonds5

About methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate

methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate (PubChem CID 168652704) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-formamidophenoxy)pyridine-4-carboxylate
PubChem CID168652704
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-(3-formamidophenoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2cccc(NC=O)c2)c1
InChIInChI=1S/C14H12N2O4/c1-19-14(18)10-5-6-15-13(7-10)20-12-4-2-3-11(8-12)16-9-17/h2-9H,1H3,(H,16,17)
InChIKeyFMVJCXCNMMODLM-UHFFFAOYSA-N
XLogP2.23
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyridin-2-yloxyphenyl)formamide
CID 91518983
ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate
CID 168522708
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
CID 71668879
methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate
CID 170155080
2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380
ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
CID 169336832
dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 31912381
methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate
CID 3784687
2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide
CID 106486567
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate
CID 71668878

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate (CID 168652704) is methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate is COC(=O)c1ccnc(Oc2cccc(NC=O)c2)c1.
What is the InChIKey of methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate?
The InChIKey is FMVJCXCNMMODLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-19-14(18)10-5-6-15-13(7-10)20-12-4-2-3-11(8-12)16-9-17/h2-9H,1H3,(H,16,17).
What are the key properties of methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate?
methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate is sourced from PubChem (CID 168652704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).