6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid

C16H17NO4 — CID 106903239

IUPAC6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCCCOc1ccccc1OCc1cccc(C(=O)O)n1
InChIInChI=1S/C16H17NO4/c1-2-10-20-14-8-3-4-9-15(14)21-11-12-6-5-7-13(17-12)16(18)19/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyBDSHDUZKGFTDTM-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.15
Rot. Bonds7

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

6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 106903239) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID106903239
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCCCOc1ccccc1OCc1cccc(C(=O)O)n1
InChIInChI=1S/C16H17NO4/c1-2-10-20-14-8-3-4-9-15(14)21-11-12-6-5-7-13(17-12)16(18)19/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyBDSHDUZKGFTDTM-UHFFFAOYSA-N
XLogP3.15
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-(heptoxymethyl)pyridine-2-carboxylic acid
CID 106903282
6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid
CID 106903275
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid
CID 150138624
6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903322
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
6-[[3-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]phenoxy]methyl]pyridine-2-carboxylic acid
CID 173323377
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736

Frequently Asked Questions

What is the IUPAC name of 6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid (CID 106903239) is 6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid is CCCOc1ccccc1OCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is BDSHDUZKGFTDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-10-20-14-8-3-4-9-15(14)21-11-12-6-5-7-13(17-12)16(18)19/h3-9H,2,10-11H2,1H3,(H,18,19).
What are the key properties of 6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid?
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).