2-chloro-5-pyridin-2-ylbenzoic acid

C12H8ClNO2 — CID 57422926

IUPAC2-chloro-5-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1cc(-c2ccccn2)ccc1Cl
InChIInChI=1S/C12H8ClNO2/c13-10-5-4-8(7-9(10)12(15)16)11-3-1-2-6-14-11/h1-7H,(H,15,16)
InChIKeySNQIOWXZSAAIRD-UHFFFAOYSA-N
MW233.65 g/mol
LogP3.10
Rot. Bonds2

About 2-chloro-5-pyridin-2-ylbenzoic acid

2-chloro-5-pyridin-2-ylbenzoic acid (PubChem CID 57422926) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 2-chloro-5-pyridin-2-ylbenzoic acid.

Molecular Properties

Compound Name2-chloro-5-pyridin-2-ylbenzoic acid
PubChem CID57422926
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name2-chloro-5-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1cc(-c2ccccn2)ccc1Cl
InChIInChI=1S/C12H8ClNO2/c13-10-5-4-8(7-9(10)12(15)16)11-3-1-2-6-14-11/h1-7H,(H,15,16)
InChIKeySNQIOWXZSAAIRD-UHFFFAOYSA-N
XLogP3.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-pyridin-2-ylbenzoic acid?
The IUPAC name of 2-chloro-5-pyridin-2-ylbenzoic acid (CID 57422926) is 2-chloro-5-pyridin-2-ylbenzoic acid.
What is the SMILES notation for 2-chloro-5-pyridin-2-ylbenzoic acid?
The canonical SMILES for 2-chloro-5-pyridin-2-ylbenzoic acid is O=C(O)c1cc(-c2ccccn2)ccc1Cl.
What is the InChIKey of 2-chloro-5-pyridin-2-ylbenzoic acid?
The InChIKey is SNQIOWXZSAAIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-10-5-4-8(7-9(10)12(15)16)11-3-1-2-6-14-11/h1-7H,(H,15,16).
What are the key properties of 2-chloro-5-pyridin-2-ylbenzoic acid?
2-chloro-5-pyridin-2-ylbenzoic acid has a molecular weight of 233.65 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pyridin-2-ylbenzoic acid is sourced from PubChem (CID 57422926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).