4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid

C15H16N2O2 — CID 14381089

IUPAC4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid
SMILESCc1ccnc(-c2cc(CCCC(=O)O)ccn2)c1
InChIInChI=1S/C15H16N2O2/c1-11-5-7-16-13(9-11)14-10-12(6-8-17-14)3-2-4-15(18)19/h5-10H,2-4H2,1H3,(H,18,19)
InChIKeyLFMPLEMXVCGLMX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.86
Rot. Bonds5

About 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid

4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid (PubChem CID 14381089) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid
PubChem CID14381089
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid
SMILESCc1ccnc(-c2cc(CCCC(=O)O)ccn2)c1
InChIInChI=1S/C15H16N2O2/c1-11-5-7-16-13(9-11)14-10-12(6-8-17-14)3-2-4-15(18)19/h5-10H,2-4H2,1H3,(H,18,19)
InChIKeyLFMPLEMXVCGLMX-UHFFFAOYSA-N
XLogP2.86
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid?
The IUPAC name of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid (CID 14381089) is 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid?
The canonical SMILES for 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid is Cc1ccnc(-c2cc(CCCC(=O)O)ccn2)c1.
What is the InChIKey of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid?
The InChIKey is LFMPLEMXVCGLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-5-7-16-13(9-11)14-10-12(6-8-17-14)3-2-4-15(18)19/h5-10H,2-4H2,1H3,(H,18,19).
What are the key properties of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid?
4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid is sourced from PubChem (CID 14381089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).