3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid

C16H17NO3 — CID 63075184

IUPAC3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCCCc1ccc(OCc2cccnc2C(=O)O)cc1
InChIInChI=1S/C16H17NO3/c1-2-4-12-6-8-14(9-7-12)20-11-13-5-3-10-17-15(13)16(18)19/h3,5-10H,2,4,11H2,1H3,(H,18,19)
InChIKeyIWBDNNGAZNSCPT-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.31
Rot. Bonds6

About 3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid

3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 63075184) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID63075184
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCCCc1ccc(OCc2cccnc2C(=O)O)cc1
InChIInChI=1S/C16H17NO3/c1-2-4-12-6-8-14(9-7-12)20-11-13-5-3-10-17-15(13)16(18)19/h3,5-10H,2,4,11H2,1H3,(H,18,19)
InChIKeyIWBDNNGAZNSCPT-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

3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 63073121
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-[(3-tert-butylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074328
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
CID 63530139
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62895772
3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid
CID 55181278
bis[3-[(4-propylphenyl)methyl]-2-pyridinyl] carbonate
CID 90425314
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 79407875

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid (CID 63075184) is 3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid is CCCc1ccc(OCc2cccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is IWBDNNGAZNSCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-4-12-6-8-14(9-7-12)20-11-13-5-3-10-17-15(13)16(18)19/h3,5-10H,2,4,11H2,1H3,(H,18,19).
What are the key properties of 3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid?
3-[(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 3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63075184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).