6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid

C16H17NO3 — CID 106903358

IUPAC6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCCCc1ccc(OCc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C16H17NO3/c1-2-4-12-7-9-14(10-8-12)20-11-13-5-3-6-15(17-13)16(18)19/h3,5-10H,2,4,11H2,1H3,(H,18,19)
InChIKeyVGNDJADTUAWJLO-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.31
Rot. Bonds6

About 6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid

6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 106903358) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID106903358
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCCCc1ccc(OCc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C16H17NO3/c1-2-4-12-7-9-14(10-8-12)20-11-13-5-3-6-15(17-13)16(18)19/h3,5-10H,2,4,11H2,1H3,(H,18,19)
InChIKeyVGNDJADTUAWJLO-UHFFFAOYSA-N
XLogP3.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate
CID 143472467
[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908300
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate
CID 143474444
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
6-(heptoxymethyl)pyridine-2-carboxylic acid
CID 106903282
3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63075184
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid (CID 106903358) is 6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid is CCCc1ccc(OCc2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is VGNDJADTUAWJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-4-12-7-9-14(10-8-12)20-11-13-5-3-6-15(17-13)16(18)19/h3,5-10H,2,4,11H2,1H3,(H,18,19).
What are the key properties of 6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid?
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).