6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid

C16H12N2O3 — CID 106903275

IUPAC6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2cccc3cccnc23)n1
InChIInChI=1S/C16H12N2O3/c19-16(20)13-7-2-6-12(18-13)10-21-14-8-1-4-11-5-3-9-17-15(11)14/h1-9H,10H2,(H,19,20)
InChIKeyGNHCUMBDHOYTHC-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.91
Rot. Bonds4

About 6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid

6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid (PubChem CID 106903275) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid
PubChem CID106903275
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2cccc3cccnc23)n1
InChIInChI=1S/C16H12N2O3/c19-16(20)13-7-2-6-12(18-13)10-21-14-8-1-4-11-5-3-9-17-15(11)14/h1-9H,10H2,(H,19,20)
InChIKeyGNHCUMBDHOYTHC-UHFFFAOYSA-N
XLogP2.91
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methanamine
CID 106908172
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
2-quinolin-8-yloxyacetate
CID 6950984
6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid
CID 150138624
tetracopper;tetrakis(6-carboxypyridine-2-carboxylate);bis(1,10-phenanthroline);bis(pyridine-2,6-dicarboxylate);undecahydrate
CID 139197745
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
5-amino-6-quinolin-8-yloxypyridine-2-carboxylic acid
CID 114408715
6-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903322
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359

Frequently Asked Questions

What is the IUPAC name of 6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid (CID 106903275) is 6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(COc2cccc3cccnc23)n1.
What is the InChIKey of 6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid?
The InChIKey is GNHCUMBDHOYTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-16(20)13-7-2-6-12(18-13)10-21-14-8-1-4-11-5-3-9-17-15(11)14/h1-9H,10H2,(H,19,20).
What are the key properties of 6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid?
6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106903275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).