2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

C18H20N2O2 — CID 50972702

IUPAC2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCc1ccccc1C1CCCN1Cc1ncccc1C(=O)O
InChIInChI=1S/C18H20N2O2/c1-13-6-2-3-7-14(13)17-9-5-11-20(17)12-16-15(18(21)22)8-4-10-19-16/h2-4,6-8,10,17H,5,9,11-12H2,1H3,(H,21,22)
InChIKeyGBFLGULREGJXBE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.43
Rot. Bonds4

About 2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 50972702) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID50972702
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCc1ccccc1C1CCCN1Cc1ncccc1C(=O)O
InChIInChI=1S/C18H20N2O2/c1-13-6-2-3-7-14(13)17-9-5-11-20(17)12-16-15(18(21)22)8-4-10-19-16/h2-4,6-8,10,17H,5,9,11-12H2,1H3,(H,21,22)
InChIKeyGBFLGULREGJXBE-UHFFFAOYSA-N
XLogP3.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyridin-3-yl)benzoic acid
CID 2760505
2,5-Dimethyl-1-[(pyridin-4-yl)methyl]-1H-pyrrole-3-carboxylic acid
CID 2736289
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
6-Phenylnicotinic acid
CID 120118
5-(Dimethylamino)pyridine-3-carboxylic acid
CID 2050105
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
3-Carboxy-1-(1-phenyl-vinyl)-pyridinium
CID 15446350
1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CID 3312874
1-benzyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 935740
5-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
CID 2050101
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 50972702) is 2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid is Cc1ccccc1C1CCCN1Cc1ncccc1C(=O)O.
What is the InChIKey of 2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is GBFLGULREGJXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-6-2-3-7-14(13)17-9-5-11-20(17)12-16-15(18(21)22)8-4-10-19-16/h2-4,6-8,10,17H,5,9,11-12H2,1H3,(H,21,22).
What are the key properties of 2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 50972702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).