2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid

C12H10N2O3 — CID 46317360

IUPAC2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
SMILESCOc1ncc(-c2cccnc2)cc1C(=O)O
InChIInChI=1S/C12H10N2O3/c1-17-11-10(12(15)16)5-9(7-14-11)8-3-2-4-13-6-8/h2-7H,1H3,(H,15,16)
InChIKeyPQIWNXYUDHXXLM-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.85
Rot. Bonds3

About 2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid

2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid (PubChem CID 46317360) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
PubChem CID46317360
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
SMILESCOc1ncc(-c2cccnc2)cc1C(=O)O
InChIInChI=1S/C12H10N2O3/c1-17-11-10(12(15)16)5-9(7-14-11)8-3-2-4-13-6-8/h2-7H,1H3,(H,15,16)
InChIKeyPQIWNXYUDHXXLM-UHFFFAOYSA-N
XLogP1.85
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
CID 117222132
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813
2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131869741
5-(2,4-dimethylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53222707
2-acetyloxy-5-pyridin-3-ylbenzoic acid
CID 66990214
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid
CID 53222973
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223715

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid (CID 46317360) is 2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid is COc1ncc(-c2cccnc2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid?
The InChIKey is PQIWNXYUDHXXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-11-10(12(15)16)5-9(7-14-11)8-3-2-4-13-6-8/h2-7H,1H3,(H,15,16).
What are the key properties of 2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid?
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 46317360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).