4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid

C13H14N2O2 — CID 156748404

IUPAC4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
SMILESCc1ccc(-n2c(C(=O)O)cc(C)c2C)cn1
InChIInChI=1S/C13H14N2O2/c1-8-6-12(13(16)17)15(10(8)3)11-5-4-9(2)14-7-11/h4-7H,1-3H3,(H,16,17)
InChIKeyHFVCNUNIDAREQD-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.50
Rot. Bonds2

About 4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid

4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid (PubChem CID 156748404) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
PubChem CID156748404
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
SMILESCc1ccc(-n2c(C(=O)O)cc(C)c2C)cn1
InChIInChI=1S/C13H14N2O2/c1-8-6-12(13(16)17)15(10(8)3)11-5-4-9(2)14-7-11/h4-7H,1-3H3,(H,16,17)
InChIKeyHFVCNUNIDAREQD-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid (CID 156748404) is 4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid is Cc1ccc(-n2c(C(=O)O)cc(C)c2C)cn1.
What is the InChIKey of 4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid?
The InChIKey is HFVCNUNIDAREQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-6-12(13(16)17)15(10(8)3)11-5-4-9(2)14-7-11/h4-7H,1-3H3,(H,16,17).
What are the key properties of 4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid?
4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 156748404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).