5-(2-propoxyphenyl)pyridine-2-carboxylic acid

C15H15NO3 — CID 104660736

IUPAC5-(2-propoxyphenyl)pyridine-2-carboxylic acid
SMILESCCCOc1ccccc1-c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H15NO3/c1-2-9-19-14-6-4-3-5-12(14)11-7-8-13(15(17)18)16-10-11/h3-8,10H,2,9H2,1H3,(H,17,18)
InChIKeyMNUBYHXDFURMAM-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.24
Rot. Bonds5

About 5-(2-propoxyphenyl)pyridine-2-carboxylic acid

5-(2-propoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 104660736) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(2-propoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-propoxyphenyl)pyridine-2-carboxylic acid
PubChem CID104660736
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-(2-propoxyphenyl)pyridine-2-carboxylic acid
SMILESCCCOc1ccccc1-c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H15NO3/c1-2-9-19-14-6-4-3-5-12(14)11-7-8-13(15(17)18)16-10-11/h3-8,10H,2,9H2,1H3,(H,17,18)
InChIKeyMNUBYHXDFURMAM-UHFFFAOYSA-N
XLogP3.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-propoxyphenyl)phenyl]methylcarbamic acid
CID 67457846
5-[2-(dimethylamino)phenyl]pyridine-2-carboxylic acid
CID 50998545
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid
CID 143642746
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-phenyl-6-propoxybenzamide
CID 57275841
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid
CID 134191464
4-(2-butoxyphenyl)pyridazine
CID 173145819
2-(4-propoxyphenyl)benzoic acid
CID 62802761
5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid
CID 53223446

Frequently Asked Questions

What is the IUPAC name of 5-(2-propoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-propoxyphenyl)pyridine-2-carboxylic acid (CID 104660736) is 5-(2-propoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-propoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-propoxyphenyl)pyridine-2-carboxylic acid is CCCOc1ccccc1-c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-propoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is MNUBYHXDFURMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-9-19-14-6-4-3-5-12(14)11-7-8-13(15(17)18)16-10-11/h3-8,10H,2,9H2,1H3,(H,17,18).
What are the key properties of 5-(2-propoxyphenyl)pyridine-2-carboxylic acid?
5-(2-propoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 104660736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).