2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid

C15H15ClN2O2 — CID 14739563

IUPAC2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-15(2,14(19)20)12-4-3-9-17-13(12)18-11-7-5-10(16)6-8-11/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyGVIYRGJPLBCCCA-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.84
Rot. Bonds4

About 2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid

2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid (PubChem CID 14739563) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid
PubChem CID14739563
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-15(2,14(19)20)12-4-3-9-17-13(12)18-11-7-5-10(16)6-8-11/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyGVIYRGJPLBCCCA-UHFFFAOYSA-N
XLogP3.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid (CID 14739563) is 2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1cccnc1Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid?
The InChIKey is GVIYRGJPLBCCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-15(2,14(19)20)12-4-3-9-17-13(12)18-11-7-5-10(16)6-8-11/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid?
2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloroanilino)-3-pyridinyl]-2-methylpropanoic acid is sourced from PubChem (CID 14739563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).