1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde

C13H14N2O2 — CID 24694826

IUPAC1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCOc1ccc(-n2c(C)cc(C=O)c2C)cn1
InChIInChI=1S/C13H14N2O2/c1-9-6-11(8-16)10(2)15(9)12-4-5-13(17-3)14-7-12/h4-8H,1-3H3
InChIKeyQTLQOEMMEULMSI-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.31
Rot. Bonds3

About 1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde

1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 24694826) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID24694826
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCOc1ccc(-n2c(C)cc(C=O)c2C)cn1
InChIInChI=1S/C13H14N2O2/c1-9-6-11(8-16)10(2)15(9)12-4-5-13(17-3)14-7-12/h4-8H,1-3H3
InChIKeyQTLQOEMMEULMSI-UHFFFAOYSA-N
XLogP2.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(6-methoxy-3-pyridinyl)methanimine
CID 126193368
2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine
CID 145362966
1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974661
2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-3-carbaldehyde
CID 29039823
1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 1121681
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974668
1-(6-bromonaphthalen-2-yl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 81259364
2,5-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)pyrrole-3-carbaldehyde
CID 24690941
4-(3-formyl-2,5-dimethylpyrrol-1-yl)-N,N-dimethylbenzamide
CID 22163927
3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde
CID 126763482
5-(6-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87480245
6-methoxypyridine-3-carbaldehyde
CID 3364576

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 24694826) is 1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde is COc1ccc(-n2c(C)cc(C=O)c2C)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is QTLQOEMMEULMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-6-11(8-16)10(2)15(9)12-4-5-13(17-3)14-7-12/h4-8H,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde?
1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 24694826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).