2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid

C15H12N4O2 — CID 90407369

IUPAC2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(Cc3ccccn3)cn2)c1
InChIInChI=1S/C15H12N4O2/c20-15(21)11-4-6-17-13(7-11)14-9-19(10-18-14)8-12-3-1-2-5-16-12/h1-7,9-10H,8H2,(H,20,21)
InChIKeyUTPBRCSMWYKMEF-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.09
Rot. Bonds4

About 2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407369) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407369
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(Cc3ccccn3)cn2)c1
InChIInChI=1S/C15H12N4O2/c20-15(21)11-4-6-17-13(7-11)14-9-19(10-18-14)8-12-3-1-2-5-16-12/h1-7,9-10H,8H2,(H,20,21)
InChIKeyUTPBRCSMWYKMEF-UHFFFAOYSA-N
XLogP2.09
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407369) is 2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(Cc3ccccn3)cn2)c1.
What is the InChIKey of 2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is UTPBRCSMWYKMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(21)11-4-6-17-13(7-11)14-9-19(10-18-14)8-12-3-1-2-5-16-12/h1-7,9-10H,8H2,(H,20,21).
What are the key properties of 2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-2-ylmethyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).