methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate

C18H21NO3 — CID 143472467

IUPACmethyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate
SMILESCCCCc1ccc(OCc2cccc(C(=O)OC)n2)cc1
InChIInChI=1S/C18H21NO3/c1-3-4-6-14-9-11-16(12-10-14)22-13-15-7-5-8-17(19-15)18(20)21-2/h5,7-12H,3-4,6,13H2,1-2H3
InChIKeyYLXWRWVIHBLQHH-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.79
Rot. Bonds7

About methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate

methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate (PubChem CID 143472467) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate
PubChem CID143472467
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namemethyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate
SMILESCCCCc1ccc(OCc2cccc(C(=O)OC)n2)cc1
InChIInChI=1S/C18H21NO3/c1-3-4-6-14-9-11-16(12-10-14)22-13-15-7-5-8-17(19-15)18(20)21-2/h5,7-12H,3-4,6,13H2,1-2H3
InChIKeyYLXWRWVIHBLQHH-UHFFFAOYSA-N
XLogP3.79
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate
CID 143474444
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
6-O-(4-heptoxyphenyl) 2-O-methyl pyridine-2,6-dicarboxylate
CID 3375649
methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
CID 139513796
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908300
1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone
CID 174893005
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
methyl 6-[[methylsulfanyl(sulfanyl)methoxy]methyl]pyridine-2-carboxylate
CID 175489350
[4-[2-[6-[2-[4-(4-octoxybenzoyl)oxyphenyl]ethyl]-2-pyridinyl]ethyl]phenyl] 4-octoxybenzoate
CID 101367503
2-[(4-ethylphenoxy)methyl]-6-methoxypyridine
CID 64763644

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate (CID 143472467) is methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate is CCCCc1ccc(OCc2cccc(C(=O)OC)n2)cc1.
What is the InChIKey of methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate?
The InChIKey is YLXWRWVIHBLQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-4-6-14-9-11-16(12-10-14)22-13-15-7-5-8-17(19-15)18(20)21-2/h5,7-12H,3-4,6,13H2,1-2H3.
What are the key properties of methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate?
methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 143472467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).