2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid

C12H10N2O3 — CID 139447771

IUPAC2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
SMILESCOc1cnccc1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C12H10N2O3/c1-17-11-7-13-4-3-9(11)10-6-8(12(15)16)2-5-14-10/h2-7H,1H3,(H,15,16)
InChIKeyQJBDUFWNJLMANK-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.85
Rot. Bonds3

About 2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid

2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid (PubChem CID 139447771) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
PubChem CID139447771
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
SMILESCOc1cnccc1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C12H10N2O3/c1-17-11-7-13-4-3-9(11)10-6-8(12(15)16)2-5-14-10/h2-7H,1H3,(H,15,16)
InChIKeyQJBDUFWNJLMANK-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid (CID 139447771) is 2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid is COc1cnccc1-c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid?
The InChIKey is QJBDUFWNJLMANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-11-7-13-4-3-9(11)10-6-8(12(15)16)2-5-14-10/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid?
2-(3-methoxy-4-pyridinyl)pyridine-4-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-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 139447771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).