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

C14H14N2O3 — CID 106485697

IUPACmethyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1ccc(CN)cc1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)12-3-2-8-16-13(12)19-11-6-4-10(9-15)5-7-11/h2-8H,9,15H2,1H3
InChIKeyVHTNLNSYYDNUFW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.12
Rot. Bonds4

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

methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate (PubChem CID 106485697) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
PubChem CID106485697
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1ccc(CN)cc1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)12-3-2-8-16-13(12)19-11-6-4-10(9-15)5-7-11/h2-8H,9,15H2,1H3
InChIKeyVHTNLNSYYDNUFW-UHFFFAOYSA-N
XLogP2.12
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate
CID 102703090
[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine
CID 114599487
2-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carboxamide
CID 107709590
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718
2-[4-(methylamino)phenoxy]pyridine-3-carboxamide
CID 54909137
2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile
CID 106485600
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
CID 62876323
methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate
CID 103011853
CID 87392386
CID 87392386
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035
2-(4-methylphenoxy)pyridine-3-carbonyl chloride
CID 2774899

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate (CID 106485697) is methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate is COC(=O)c1cccnc1Oc1ccc(CN)cc1.
What is the InChIKey of methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is VHTNLNSYYDNUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-14(17)12-3-2-8-16-13(12)19-11-6-4-10(9-15)5-7-11/h2-8H,9,15H2,1H3.
What are the key properties of methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate?
methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 106485697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).