2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine

C14H18N2O2 — CID 11230352

IUPAC2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine
SMILESCOC(Cn1cc(C)cc1-c1ccccn1)OC
InChIInChI=1S/C14H18N2O2/c1-11-8-13(12-6-4-5-7-15-12)16(9-11)10-14(17-2)18-3/h4-9,14H,10H2,1-3H3
InChIKeyFCWMCAANUKKPSP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine

2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine (PubChem CID 11230352) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine
PubChem CID11230352
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine
SMILESCOC(Cn1cc(C)cc1-c1ccccn1)OC
InChIInChI=1S/C14H18N2O2/c1-11-8-13(12-6-4-5-7-15-12)16(9-11)10-14(17-2)18-3/h4-9,14H,10H2,1-3H3
InChIKeyFCWMCAANUKKPSP-UHFFFAOYSA-N
XLogP2.48
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyl-4-methylpyrrol-2-yl)pyridine
CID 86011752
2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine
CID 11208335
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
1-(3,5-dimethylphenyl)-2-(2-pyridin-2-ylimidazol-1-yl)ethanol
CID 109411368
4-methyl-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59651145
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine
CID 141442661
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-(2,4,6-trimethyl-3-pyridin-2-ylphenyl)pyridine
CID 140909024
propane;2-pyridin-2-ylpyridine
CID 158168510

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine?
The IUPAC name of 2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine (CID 11230352) is 2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine.
What is the SMILES notation for 2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine?
The canonical SMILES for 2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine is COC(Cn1cc(C)cc1-c1ccccn1)OC.
What is the InChIKey of 2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine?
The InChIKey is FCWMCAANUKKPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-8-13(12-6-4-5-7-15-12)16(9-11)10-14(17-2)18-3/h4-9,14H,10H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine?
2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine has a molecular weight of 246.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine is sourced from PubChem (CID 11230352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).