4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid

C10H9N3O2 — CID 43142903

IUPAC4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid
SMILESCc1nccn1-c1ccnc(C(=O)O)c1
InChIInChI=1S/C10H9N3O2/c1-7-11-4-5-13(7)8-2-3-12-9(6-8)10(14)15/h2-6H,1H3,(H,14,15)
InChIKeyQPKZDTHQPHXYFD-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.27
Rot. Bonds2

About 4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid

4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid (PubChem CID 43142903) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid
PubChem CID43142903
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid
SMILESCc1nccn1-c1ccnc(C(=O)O)c1
InChIInChI=1S/C10H9N3O2/c1-7-11-4-5-13(7)8-2-3-12-9(6-8)10(14)15/h2-6H,1H3,(H,14,15)
InChIKeyQPKZDTHQPHXYFD-UHFFFAOYSA-N
XLogP1.27
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid (CID 43142903) is 4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid is Cc1nccn1-c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is QPKZDTHQPHXYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-11-4-5-13(7)8-2-3-12-9(6-8)10(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid?
4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43142903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).