3-chloro-2-phenylpyridine;2-methylpropanoic acid

C15H16ClNO2 — CID 174792779

IUPAC3-chloro-2-phenylpyridine;2-methylpropanoic acid
SMILESCC(C)C(=O)O.Clc1cccnc1-c1ccccc1
InChIInChI=1S/C11H8ClN.C4H8O2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9;1-3(2)4(5)6/h1-8H;3H,1-2H3,(H,5,6)
InChIKeyZMDXWCKDUFXIJO-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.13
Rot. Bonds2

About 3-chloro-2-phenylpyridine;2-methylpropanoic acid

3-chloro-2-phenylpyridine;2-methylpropanoic acid (PubChem CID 174792779) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-chloro-2-phenylpyridine;2-methylpropanoic acid.

Molecular Properties

Compound Name3-chloro-2-phenylpyridine;2-methylpropanoic acid
PubChem CID174792779
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-chloro-2-phenylpyridine;2-methylpropanoic acid
SMILESCC(C)C(=O)O.Clc1cccnc1-c1ccccc1
InChIInChI=1S/C11H8ClN.C4H8O2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9;1-3(2)4(5)6/h1-8H;3H,1-2H3,(H,5,6)
InChIKeyZMDXWCKDUFXIJO-UHFFFAOYSA-N
XLogP4.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenylpyridine;2-methylpropanoic acid?
The IUPAC name of 3-chloro-2-phenylpyridine;2-methylpropanoic acid (CID 174792779) is 3-chloro-2-phenylpyridine;2-methylpropanoic acid.
What is the SMILES notation for 3-chloro-2-phenylpyridine;2-methylpropanoic acid?
The canonical SMILES for 3-chloro-2-phenylpyridine;2-methylpropanoic acid is CC(C)C(=O)O.Clc1cccnc1-c1ccccc1.
What is the InChIKey of 3-chloro-2-phenylpyridine;2-methylpropanoic acid?
The InChIKey is ZMDXWCKDUFXIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN.C4H8O2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9;1-3(2)4(5)6/h1-8H;3H,1-2H3,(H,5,6).
What are the key properties of 3-chloro-2-phenylpyridine;2-methylpropanoic acid?
3-chloro-2-phenylpyridine;2-methylpropanoic acid has a molecular weight of 277.75 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-phenylpyridine;2-methylpropanoic acid is sourced from PubChem (CID 174792779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).