5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid

C14H13NO2 — CID 115374996

IUPAC5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid
SMILESCc1cncc(-c2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C14H13NO2/c1-9-3-4-12(13(6-9)14(16)17)11-5-10(2)7-15-8-11/h3-8H,1-2H3,(H,16,17)
InChIKeyRSUIZUSZRYFIFE-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.06
Rot. Bonds2

About 5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid

5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid (PubChem CID 115374996) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid
PubChem CID115374996
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid
SMILESCc1cncc(-c2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C14H13NO2/c1-9-3-4-12(13(6-9)14(16)17)11-5-10(2)7-15-8-11/h3-8H,1-2H3,(H,16,17)
InChIKeyRSUIZUSZRYFIFE-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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Related Compounds

6-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)cyclopropyl)-3-pyridinecarboxylic acid
CID 3922
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
5-(2-Phenyleth-1-Ynyl)Nicotinic Acid
CID 2779236
Isoquinoline-5-carboxylic acid
CID 260936
6-Phenylnicotinic acid
CID 120118
5-Phenylpyridine-3-carboxylic acid
CID 346160
4-Pyridin-3-yl-benzoic acid
CID 1515244
Methyl isoquinoline-5-carboxylate
CID 313259
Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
5-(3-Cyclohexylprop-1-ynyl)nicotinic acid
CID 544412
4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)-3-isobutyl-4-biphenylcarboxylic acid
CID 11235459

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid?
The IUPAC name of 5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid (CID 115374996) is 5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid.
What is the SMILES notation for 5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid?
The canonical SMILES for 5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid is Cc1cncc(-c2ccc(C)cc2C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid?
The InChIKey is RSUIZUSZRYFIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-3-4-12(13(6-9)14(16)17)11-5-10(2)7-15-8-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of 5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid?
5-methyl-2-(5-methyl-3-pyridinyl)benzoic 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 5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid is sourced from PubChem (CID 115374996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).