2,3-dimethyl-4-pyridin-2-ylbenzoic acid

C14H13NO2 — CID 175747160

IUPAC2,3-dimethyl-4-pyridin-2-ylbenzoic acid
SMILESCc1c(C(=O)O)ccc(-c2ccccn2)c1C
InChIInChI=1S/C14H13NO2/c1-9-10(2)12(14(16)17)7-6-11(9)13-5-3-4-8-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyVNBHSBGWGJDKCN-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.06
Rot. Bonds2

About 2,3-dimethyl-4-pyridin-2-ylbenzoic acid

2,3-dimethyl-4-pyridin-2-ylbenzoic acid (PubChem CID 175747160) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2,3-dimethyl-4-pyridin-2-ylbenzoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-pyridin-2-ylbenzoic acid
PubChem CID175747160
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2,3-dimethyl-4-pyridin-2-ylbenzoic acid
SMILESCc1c(C(=O)O)ccc(-c2ccccn2)c1C
InChIInChI=1S/C14H13NO2/c1-9-10(2)12(14(16)17)7-6-11(9)13-5-3-4-8-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyVNBHSBGWGJDKCN-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-pyridin-2-ylbenzoic acid?
The IUPAC name of 2,3-dimethyl-4-pyridin-2-ylbenzoic acid (CID 175747160) is 2,3-dimethyl-4-pyridin-2-ylbenzoic acid.
What is the SMILES notation for 2,3-dimethyl-4-pyridin-2-ylbenzoic acid?
The canonical SMILES for 2,3-dimethyl-4-pyridin-2-ylbenzoic acid is Cc1c(C(=O)O)ccc(-c2ccccn2)c1C.
What is the InChIKey of 2,3-dimethyl-4-pyridin-2-ylbenzoic acid?
The InChIKey is VNBHSBGWGJDKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-10(2)12(14(16)17)7-6-11(9)13-5-3-4-8-15-13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2,3-dimethyl-4-pyridin-2-ylbenzoic acid?
2,3-dimethyl-4-pyridin-2-ylbenzoic acid has a molecular weight of 227.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-pyridin-2-ylbenzoic acid is sourced from PubChem (CID 175747160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).