5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid

C21H19NO2 — CID 58415904

IUPAC5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid
SMILESCc1ccc(Cc2cnc(-c3ccccc3)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C21H19NO2/c1-14-8-9-18(19(10-14)21(23)24)12-16-11-15(2)20(22-13-16)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyRGHSSUSHUKVYEP-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.65
Rot. Bonds4

About 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid

5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid (PubChem CID 58415904) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid
PubChem CID58415904
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid
SMILESCc1ccc(Cc2cnc(-c3ccccc3)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C21H19NO2/c1-14-8-9-18(19(10-14)21(23)24)12-16-11-15(2)20(22-13-16)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyRGHSSUSHUKVYEP-UHFFFAOYSA-N
XLogP4.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fusaric Acid
CID 3442
6-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)cyclopropyl)-3-pyridinecarboxylic acid
CID 3922
Isoquinoline-3-carboxylic acid
CID 124656
2,6-Diphenylisonicotinic acid
CID 3490694
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
Isoquinoline-5-carboxylic acid
CID 260936
5-Phenylpyridine-3-carboxylic acid
CID 346160
4-Pyridin-3-yl-benzoic acid
CID 1515244
2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
4-[7,7,10,10-Tetramethyl-1-(pyridin-3-ylmethyl)-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl]benzoic acid
CID 9826902

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid?
The IUPAC name of 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid (CID 58415904) is 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid?
The canonical SMILES for 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid is Cc1ccc(Cc2cnc(-c3ccccc3)c(C)c2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid?
The InChIKey is RGHSSUSHUKVYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14-8-9-18(19(10-14)21(23)24)12-16-11-15(2)20(22-13-16)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,23,24).
What are the key properties of 5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid?
5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid has a molecular weight of 317.39 g/mol, XLogP of 4.65, 4 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-6-phenyl-3-pyridinyl)methyl]benzoic acid is sourced from PubChem (CID 58415904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).