7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid

C18H22N2O2 — CID 121355475

IUPAC7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
SMILESCc1ccnc(-c2cc(CCCCCCC(=O)O)ccn2)c1
InChIInChI=1S/C18H22N2O2/c1-14-8-10-19-16(12-14)17-13-15(9-11-20-17)6-4-2-3-5-7-18(21)22/h8-13H,2-7H2,1H3,(H,21,22)
InChIKeyRLECWXDMGGAZOQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.03
Rot. Bonds8

About 7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid

7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid (PubChem CID 121355475) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid.

Molecular Properties

Compound Name7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
PubChem CID121355475
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
SMILESCc1ccnc(-c2cc(CCCCCCC(=O)O)ccn2)c1
InChIInChI=1S/C18H22N2O2/c1-14-8-10-19-16(12-14)17-13-15(9-11-20-17)6-4-2-3-5-7-18(21)22/h8-13H,2-7H2,1H3,(H,21,22)
InChIKeyRLECWXDMGGAZOQ-UHFFFAOYSA-N
XLogP4.03
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid?
The IUPAC name of 7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid (CID 121355475) is 7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid.
What is the SMILES notation for 7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid?
The canonical SMILES for 7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid is Cc1ccnc(-c2cc(CCCCCCC(=O)O)ccn2)c1.
What is the InChIKey of 7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid?
The InChIKey is RLECWXDMGGAZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-8-10-19-16(12-14)17-13-15(9-11-20-17)6-4-2-3-5-7-18(21)22/h8-13H,2-7H2,1H3,(H,21,22).
What are the key properties of 7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid?
7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid has a molecular weight of 298.39 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid is sourced from PubChem (CID 121355475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).