2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine

C14H15NO — CID 142207288

IUPAC2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine
SMILESCC1=CCC=C(OCc2ccccn2)C=C1
InChIInChI=1S/C14H15NO/c1-12-5-4-7-14(9-8-12)16-11-13-6-2-3-10-15-13/h2-3,5-10H,4,11H2,1H3
InChIKeyXAQDLRFOYHGVBF-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.39
Rot. Bonds3

About 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine

2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine (PubChem CID 142207288) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine
PubChem CID142207288
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine
SMILESCC1=CCC=C(OCc2ccccn2)C=C1
InChIInChI=1S/C14H15NO/c1-12-5-4-7-14(9-8-12)16-11-13-6-2-3-10-15-13/h2-3,5-10H,4,11H2,1H3
InChIKeyXAQDLRFOYHGVBF-UHFFFAOYSA-N
XLogP3.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736
N,N-dimethyl-2-(pyridin-2-ylmethoxy)aniline
CID 22438672
pyridin-2-ylmethyl hypoiodite
CID 67567753
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
2-(1,1-difluoroethoxymethyl)pyridine
CID 68641957
2-[[5,11,17,23-tetratert-butyl-26-phenylmethoxy-27,28-bis(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]pyridine
CID 10351040
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
3-(pyridin-2-ylmethoxy)benzenethiol
CID 143173628
(E)-N-(pyridin-2-ylmethoxy)propan-1-imine
CID 88538998

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine?
The IUPAC name of 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine (CID 142207288) is 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine.
What is the SMILES notation for 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine?
The canonical SMILES for 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine is CC1=CCC=C(OCc2ccccn2)C=C1.
What is the InChIKey of 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine?
The InChIKey is XAQDLRFOYHGVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-12-5-4-7-14(9-8-12)16-11-13-6-2-3-10-15-13/h2-3,5-10H,4,11H2,1H3.
What are the key properties of 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine?
2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine has a molecular weight of 213.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine is sourced from PubChem (CID 142207288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).