2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde

C13H14N2O — CID 885302

IUPAC2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde
SMILESCc1ccnc(-n2c(C)cc(C=O)c2C)c1
InChIInChI=1S/C13H14N2O/c1-9-4-5-14-13(6-9)15-10(2)7-12(8-16)11(15)3/h4-8H,1-3H3
InChIKeyPIGJZPZYWKFDBR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.61
Rot. Bonds2

About 2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde

2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde (PubChem CID 885302) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde
PubChem CID885302
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde
SMILESCc1ccnc(-n2c(C)cc(C=O)c2C)c1
InChIInChI=1S/C13H14N2O/c1-9-4-5-14-13(6-9)15-10(2)7-12(8-16)11(15)3/h4-8H,1-3H3
InChIKeyPIGJZPZYWKFDBR-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde (CID 885302) is 2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde is Cc1ccnc(-n2c(C)cc(C=O)c2C)c1.
What is the InChIKey of 2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde?
The InChIKey is PIGJZPZYWKFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-4-5-14-13(6-9)15-10(2)7-12(8-16)11(15)3/h4-8H,1-3H3.
What are the key properties of 2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde?
2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4-methyl-2-pyridinyl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 885302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).